N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide

C30H31N5O4 — CID 11849148

About N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide

N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide (PubChem CID 11849148) has the molecular formula C30H31N5O4 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
• PubChem CID: 11849148
• Molecular Formula: C30H31N5O4
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.24
• IUPAC Name: N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
• SMILES: O=C(Nc1cc(-c2cccc(O)c2)cn(CC2CC2)c1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
• InChI: InChI=1S/C30H31N5O4/c36-25-8-4-7-22(15-25)23-16-26(28(37)34(18-23)17-20-9-10-20)31-29(38)33-13-11-24(12-14-33)35-19-27(32-30(35)39)21-5-2-1-3-6-21/h1-8,15-16,18-20,24,36H,9-14,17H2,(H,31,38)(H,32,39)
• InChIKey: JHESQPIHRYUBBO-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 112.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?

The IUPAC name of N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide (CID 11849148) is N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide is O=C(Nc1cc(-c2cccc(O)c2)cn(CC2CC2)c1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.

What is the InChIKey of N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?

The InChIKey is JHESQPIHRYUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4/c36-25-8-4-7-22(15-25)23-16-26(28(37)34(18-23)17-20-9-10-20)31-29(38)33-13-11-24(12-14-33)35-19-27(32-30(35)39)21-5-2-1-3-6-21/h1-8,15-16,18-20,24,36H,9-14,17H2,(H,31,38)(H,32,39).

What are the key properties of N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?

N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide has a molecular weight of 525.61 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11849148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).