2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide

C20H29N5O — CID 167767525

IUPAC2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
SMILESCc1ccc2nc(C3CCCN(CC(=O)NC4CCNCC4)C3)[nH]c2c1
InChIInChI=1S/C20H29N5O/c1-14-4-5-17-18(11-14)24-20(23-17)15-3-2-10-25(12-15)13-19(26)22-16-6-8-21-9-7-16/h4-5,11,15-16,21H,2-3,6-10,12-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyUKFANVGEQSUTLU-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.92
Rot. Bonds4

About 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide

2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide (PubChem CID 167767525) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
PubChem CID167767525
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
SMILESCc1ccc2nc(C3CCCN(CC(=O)NC4CCNCC4)C3)[nH]c2c1
InChIInChI=1S/C20H29N5O/c1-14-4-5-17-18(11-14)24-20(23-17)15-3-2-10-25(12-15)13-19(26)22-16-6-8-21-9-7-16/h4-5,11,15-16,21H,2-3,6-10,12-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyUKFANVGEQSUTLU-UHFFFAOYSA-N
XLogP1.92
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223963
(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 99851245
1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol
CID 84596080
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
CID 84596082
(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
CID 129432836
3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97328833
2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118787936
2-[(3S)-1-(azepan-1-ylsulfonyl)piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 97258168

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide (CID 167767525) is 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide is Cc1ccc2nc(C3CCCN(CC(=O)NC4CCNCC4)C3)[nH]c2c1.
What is the InChIKey of 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide?
The InChIKey is UKFANVGEQSUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-4-5-17-18(11-14)24-20(23-17)15-3-2-10-25(12-15)13-19(26)22-16-6-8-21-9-7-16/h4-5,11,15-16,21H,2-3,6-10,12-13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide?
2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide has a molecular weight of 355.49 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 167767525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).