1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide

C21H28N4O2 — CID 72926073

IUPAC1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1nc2ccccc2n1C)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-23(14-19-22-17-8-3-4-9-18(17)24(19)2)20(26)16-10-12-25(13-11-16)21(27)15-6-5-7-15/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3
InChIKeyGCDNLVSSWBBTLM-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.57
Rot. Bonds4

About 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 72926073) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID72926073
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1nc2ccccc2n1C)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-23(14-19-22-17-8-3-4-9-18(17)24(19)2)20(26)16-10-12-25(13-11-16)21(27)15-6-5-7-15/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3
InChIKeyGCDNLVSSWBBTLM-UHFFFAOYSA-N
XLogP2.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56787202
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 125113468
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91764570
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
CID 96513528
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133346042

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 72926073) is 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide is CN(Cc1nc2ccccc2n1C)C(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GCDNLVSSWBBTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23(14-19-22-17-8-3-4-9-18(17)24(19)2)20(26)16-10-12-25(13-11-16)21(27)15-6-5-7-15/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72926073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).