3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one

C95H94Br2N18O14 — CID 159944112

About 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one

3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one (PubChem CID 159944112) has the molecular formula C95H94Br2N18O14 and a molecular weight of 1871.72 g/mol. Its IUPAC name is 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one
• PubChem CID: 159944112
• Molecular Formula: C95H94Br2N18O14
• Molecular Weight: 1871.72 g/mol
• Exact Mass: 1868.56
• IUPAC Name: 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one
• SMILES: O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.O=C1CC2=C(CCN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)C2)N1.O=C1CC2=C(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1.O=C1CC2=C(CCNC2)N1.O=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1Br.O=C1CCNCC1Br
• InChI: InChI=1S/C24H23N7O3.C22H20N2O3.C20H18BrNO3.C17H15N5O3.C7H10N2O.C5H8BrNO/c32-20-9-16-13-31(6-5-19(16)28-20)22(33)10-21-29-30-23(34-21)17-11-25-24(26-12-17)27-18-7-14-3-1-2-4-15(14)8-18;25-21-11-14-12-24(10-9-20(14)23-21)22(26)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;21-18-11-22(10-9-19(18)23)20(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;10-7-3-5-4-8-2-1-6(5)9-7;6-4-3-7-2-1-5(4)8/h1-4,11-12,18H,5-10,13H2,(H,28,32)(H,25,26,27);1-8,19H,9-13H2,(H,23,25);1-8,17-18H,9-12H2;1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);8H,1-4H2,(H,9,10);4,7H,1-3H2
• InChIKey: OBGOZHKVOWLONJ-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 415.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.72
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one?

The IUPAC name of 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one (CID 159944112) is 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one.

What is the SMILES notation for 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one?

The canonical SMILES for 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one is O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.O=C1CC2=C(CCN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)C2)N1.O=C1CC2=C(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1.O=C1CC2=C(CCNC2)N1.O=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1Br.O=C1CCNCC1Br.

What is the InChIKey of 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one?

The InChIKey is OBGOZHKVOWLONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3.C22H20N2O3.C20H18BrNO3.C17H15N5O3.C7H10N2O.C5H8BrNO/c32-20-9-16-13-31(6-5-19(16)28-20)22(33)10-21-29-30-23(34-21)17-11-25-24(26-12-17)27-18-7-14-3-1-2-4-15(14)8-18;25-21-11-14-12-24(10-9-20(14)23-21)22(26)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;21-18-11-22(10-9-19(18)23)20(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;10-7-3-5-4-8-2-1-6(5)9-7;6-4-3-7-2-1-5(4)8/h1-4,11-12,18H,5-10,13H2,(H,28,32)(H,25,26,27);1-8,19H,9-13H2,(H,23,25);1-8,17-18H,9-12H2;1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);8H,1-4H2,(H,9,10);4,7H,1-3H2.

What are the key properties of 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one?

3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one has a molecular weight of 1871.72 g/mol, XLogP of 10.84, 14 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopiperidin-4-one;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-one;9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate;9H-fluoren-9-ylmethyl 2-oxo-3,4,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate;1,3,4,5,6,7-hexahydropyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 159944112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).