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

C30H31N5O3 — CID 11849147

IUPACN-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C30H31N5O3/c36-28-26(17-24(22-7-3-1-4-8-22)19-34(28)18-21-11-12-21)31-29(37)33-15-13-25(14-16-33)35-20-27(32-30(35)38)23-9-5-2-6-10-23/h1-10,17,19-21,25H,11-16,18H2,(H,31,37)(H,32,38)
InChIKeyWBEZWDQPJDHRFH-UHFFFAOYSA-N
MW509.61 g/mol
LogP4.95
Rot. Bonds6

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

N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide (PubChem CID 11849147) has the molecular formula C30H31N5O3 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
PubChem CID11849147
Molecular FormulaC30H31N5O3
Molecular Weight509.61 g/mol
Exact Mass509.24
IUPAC NameN-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C30H31N5O3/c36-28-26(17-24(22-7-3-1-4-8-22)19-34(28)18-21-11-12-21)31-29(37)33-15-13-25(14-16-33)35-20-27(32-30(35)38)23-9-5-2-6-10-23/h1-10,17,19-21,25H,11-16,18H2,(H,31,37)(H,32,38)
InChIKeyWBEZWDQPJDHRFH-UHFFFAOYSA-N
XLogP4.95
TPSA92.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2344558
1-(1-Benzyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10735405
N-((3R,6S)-1-(cyclopropylmethyl)-2-oxo-6-phenylazepan-3-yl)-4-(2-oxo-4-phenyl-2,3-dihydroimidazol-1-yl)piperidine-1-carboxamide
CID 11249504
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(3-methylpiperidin-1-yl)pyrimidine-2,4-dione
CID 67143514
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(4-methylpiperidin-1-yl)pyrimidine-2,4-dione
CID 67143567
(2R)-N-[(2R)-6-amino-1-oxo-1-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 53379631
1-(1-Benzyl-2-oxo-1,2-dihydro-pyridin-3-yl)-3-cyclohexyl-urea
CID 1450035
1-Benzyl-3-[1-(2-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450059
1-Cyclohexyl-3-[1-(4-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450067
1-Benzyl-3-[1-(4-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450072
1-Cyclohexyl-3-[1-(4-methyl-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450086
1-Benzyl-3-[1-(4-methyl-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450089

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide (CID 11849147) is N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide is O=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?
The InChIKey is WBEZWDQPJDHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3/c36-28-26(17-24(22-7-3-1-4-8-22)19-34(28)18-21-11-12-21)31-29(37)33-15-13-25(14-16-33)35-20-27(32-30(35)38)23-9-5-2-6-10-23/h1-10,17,19-21,25H,11-16,18H2,(H,31,37)(H,32,38).
What are the key properties of N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?
N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11849147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).