N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C47H52ClF3N8O5S2 — CID 157399723

About N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 157399723) has the molecular formula C47H52ClF3N8O5S2 and a molecular weight of 965.56 g/mol. Its IUPAC name is N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 157399723
• Molecular Formula: C47H52ClF3N8O5S2
• Molecular Weight: 965.56 g/mol
• Exact Mass: 964.31
• IUPAC Name: N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: O=C(NCCCCC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc2ccncc2s1.O=C(NCCCCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1)c1cc2cnccc2[nH]1
• InChI: InChI=1S/C24H26ClN3O2S.C23H26F3N5O3S/c25-20-6-4-18(5-7-20)24(30)28-13-9-17(10-14-28)3-1-2-11-27-23(29)21-15-19-8-12-26-16-22(19)31-21;24-23(25,26)21-5-4-18(15-29-21)35(33,34)31-11-7-16(8-12-31)3-1-2-9-28-22(32)20-13-17-14-27-10-6-19(17)30-20/h4-8,12,15-17H,1-3,9-11,13-14H2,(H,27,29);4-6,10,13-16,30H,1-3,7-9,11-12H2,(H,28,32)
• InChIKey: BMZSQIIQBAOPDF-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 170.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.56
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The IUPAC name of N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 157399723) is N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc2ccncc2s1.O=C(NCCCCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1)c1cc2cnccc2[nH]1.

What is the InChIKey of N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is BMZSQIIQBAOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2S.C23H26F3N5O3S/c25-20-6-4-18(5-7-20)24(30)28-13-9-17(10-14-28)3-1-2-11-27-23(29)21-15-19-8-12-26-16-22(19)31-21;24-23(25,26)21-5-4-18(15-29-21)35(33,34)31-11-7-16(8-12-31)3-1-2-9-28-22(32)20-13-17-14-27-10-6-19(17)30-20/h4-8,12,15-17H,1-3,9-11,13-14H2,(H,27,29);4-6,10,13-16,30H,1-3,7-9,11-12H2,(H,28,32).

What are the key properties of N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 965.56 g/mol, XLogP of 9.38, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 157399723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).