N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C21H31N5O2 — CID 167872050

IUPACN-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCN(C)C1CCCC(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C21H31N5O2/c1-24(2)17-7-5-6-15(14-17)22-20(27)25-12-10-16(11-13-25)26-19-9-4-3-8-18(19)23-21(26)28/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyYRBSGIWDDWBTNB-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.55
Rot. Bonds3

About N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 167872050) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID167872050
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCN(C)C1CCCC(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C21H31N5O2/c1-24(2)17-7-5-6-15(14-17)22-20(27)25-12-10-16(11-13-25)26-19-9-4-3-8-18(19)23-21(26)28/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyYRBSGIWDDWBTNB-UHFFFAOYSA-N
XLogP2.55
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclopentyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967834
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 136577151
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 128698136
N-(2-methylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 20605984
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
N-(2-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735703
N-(4-acetylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735688
N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 3835544
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 78819042
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 167872050) is N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is CN(C)C1CCCC(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.
What is the InChIKey of N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is YRBSGIWDDWBTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-24(2)17-7-5-6-15(14-17)22-20(27)25-12-10-16(11-13-25)26-19-9-4-3-8-18(19)23-21(26)28/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 167872050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).