N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide

C27H31N5O6 — CID 71025555

About N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide

N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 71025555) has the molecular formula C27H31N5O6 and a molecular weight of 521.57 g/mol. Its IUPAC name is N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide
• PubChem CID: 71025555
• Molecular Formula: C27H31N5O6
• Molecular Weight: 521.57 g/mol
• Exact Mass: 521.23
• IUPAC Name: N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide
• SMILES: COc1ccc2c(c1)CCN(C1CCN(C(=O)CN(C)C(=O)c3cc(C)c4[nH]c(=O)oc4c3)CC1)C(=O)N2
• InChI: InChI=1S/C27H31N5O6/c1-16-12-18(14-22-24(16)29-27(36)38-22)25(34)30(2)15-23(33)31-9-7-19(8-10-31)32-11-6-17-13-20(37-3)4-5-21(17)28-26(32)35/h4-5,12-14,19H,6-11,15H2,1-3H3,(H,28,35)(H,29,36)
• InChIKey: WPQMTCHNXHPGEV-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 128.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.57
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide?

The IUPAC name of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide (CID 71025555) is N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide.

What is the SMILES notation for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide?

The canonical SMILES for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide is COc1ccc2c(c1)CCN(C1CCN(C(=O)CN(C)C(=O)c3cc(C)c4[nH]c(=O)oc4c3)CC1)C(=O)N2.

What is the InChIKey of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide?

The InChIKey is WPQMTCHNXHPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O6/c1-16-12-18(14-22-24(16)29-27(36)38-22)25(34)30(2)15-23(33)31-9-7-19(8-10-31)32-11-6-17-13-20(37-3)4-5-21(17)28-26(32)35/h4-5,12-14,19H,6-11,15H2,1-3H3,(H,28,35)(H,29,36).

What are the key properties of N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide?

N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 521.57 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-N,4-dimethyl-2-oxo-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 71025555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).