4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide

C18H24N4O2 — CID 134794206

IUPAC4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(N2CC3CCCN3C2=O)CC1
InChIInChI=1S/C18H24N4O2/c23-17(19-14-5-2-1-3-6-14)20-11-8-15(9-12-20)22-13-16-7-4-10-21(16)18(22)24/h1-3,5-6,15-16H,4,7-13H2,(H,19,23)
InChIKeyWWXWFUMOXHVELH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.58
Rot. Bonds2

About 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide

4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide (PubChem CID 134794206) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide
PubChem CID134794206
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(N2CC3CCCN3C2=O)CC1
InChIInChI=1S/C18H24N4O2/c23-17(19-14-5-2-1-3-6-14)20-11-8-15(9-12-20)22-13-16-7-4-10-21(16)18(22)24/h1-3,5-6,15-16H,4,7-13H2,(H,19,23)
InChIKeyWWXWFUMOXHVELH-UHFFFAOYSA-N
XLogP2.58
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
Bimu 1
CID 9929033
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344
1-Phenylimidazolidin-2-one
CID 255273
Itasetron
CID 6918106
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
3-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 130946
3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 131725
1-Cyclohexyl-3-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263989
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 25264119
4-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264121

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide (CID 134794206) is 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(N2CC3CCCN3C2=O)CC1.
What is the InChIKey of 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is WWXWFUMOXHVELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(19-14-5-2-1-3-6-14)20-11-8-15(9-12-20)22-13-16-7-4-10-21(16)18(22)24/h1-3,5-6,15-16H,4,7-13H2,(H,19,23).
What are the key properties of 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide?
4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 134794206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).