3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide

C32H40FN5O5 — CID 71025514

About 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide

3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 71025514) has the molecular formula C32H40FN5O5 and a molecular weight of 593.70 g/mol. Its IUPAC name is 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
• PubChem CID: 71025514
• Molecular Formula: C32H40FN5O5
• Molecular Weight: 593.70 g/mol
• Exact Mass: 593.30
• IUPAC Name: 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
• SMILES: CCC1CCCCN1C(=O)c1cc(F)cc(C(=O)NCC(=O)N2CCC(N3CCc4cc(OC)ccc4NC3=O)CC2)c1
• InChI: InChI=1S/C32H40FN5O5/c1-3-25-6-4-5-12-37(25)31(41)23-16-22(17-24(33)18-23)30(40)34-20-29(39)36-13-10-26(11-14-36)38-15-9-21-19-27(43-2)7-8-28(21)35-32(38)42/h7-8,16-19,25-26H,3-6,9-15,20H2,1-2H3,(H,34,40)(H,35,42)
• InChIKey: DJKQNDDIAYWFAC-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.70
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide?

The IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 71025514) is 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide?

The canonical SMILES for 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide is CCC1CCCCN1C(=O)c1cc(F)cc(C(=O)NCC(=O)N2CCC(N3CCc4cc(OC)ccc4NC3=O)CC2)c1.

What is the InChIKey of 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide?

The InChIKey is DJKQNDDIAYWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FN5O5/c1-3-25-6-4-5-12-37(25)31(41)23-16-22(17-24(33)18-23)30(40)34-20-29(39)36-13-10-26(11-14-36)38-15-9-21-19-27(43-2)7-8-28(21)35-32(38)42/h7-8,16-19,25-26H,3-6,9-15,20H2,1-2H3,(H,34,40)(H,35,42).

What are the key properties of 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide?

3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 593.70 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-ethylpiperidine-1-carbonyl)-5-fluoro-N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 71025514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).