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

C25H33N5O3 — CID 143085580

IUPACN-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCCCN(CC2CC2)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C25H33N5O3/c31-23-21(8-4-5-13-29(23)16-18-9-10-18)26-24(32)28-14-11-20(12-15-28)30-17-22(27-25(30)33)19-6-2-1-3-7-19/h1-3,6-7,17-18,20-21H,4-5,8-16H2,(H,26,32)(H,27,33)/t21-/m0/s1
InChIKeyUGUIVAOFTFDVDJ-NRFANRHFSA-N
MW451.57 g/mol
LogP2.98
Rot. Bonds5

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

N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide (PubChem CID 143085580) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
PubChem CID143085580
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCCCN(CC2CC2)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C25H33N5O3/c31-23-21(8-4-5-13-29(23)16-18-9-10-18)26-24(32)28-14-11-20(12-15-28)30-17-22(27-25(30)33)19-6-2-1-3-7-19/h1-3,6-7,17-18,20-21H,4-5,8-16H2,(H,26,32)(H,27,33)/t21-/m0/s1
InChIKeyUGUIVAOFTFDVDJ-NRFANRHFSA-N
XLogP2.98
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,7S)-1-(cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11409928
N-[(2S,6S)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11261077
N-[1-acetyl-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-diazepan-6-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 72754219
tert-butyl (2S,6R)-4-(cyclopropylmethyl)-5-oxo-6-[[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]amino]-2-phenyl-1,4-diazepane-1-carboxylate
CID 11467775
(3R,5R)-1-(cyclopropylmethyl)-3-[[hydroxy-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]amino]-5-methylazepan-2-one
CID 143173431
N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11849148
N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11563987
N-[(2R)-3-(3,5-dibromophenyl)-1-[4-(1-ethylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 10055970
5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
CID 67344326
N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide
CID 21109753
N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 159111004
3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
CID 143670655

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide (CID 143085580) is N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide is O=C(N[C@H]1CCCCN(CC2CC2)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?
The InChIKey is UGUIVAOFTFDVDJ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H33N5O3/c31-23-21(8-4-5-13-29(23)16-18-9-10-18)26-24(32)28-14-11-20(12-15-28)30-17-22(27-25(30)33)19-6-2-1-3-7-19/h1-3,6-7,17-18,20-21H,4-5,8-16H2,(H,26,32)(H,27,33)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide?
N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 143085580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).