[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone

C21H30N4O — CID 119887232

IUPAC[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)n1c(C2CCCN(C(=O)[C@H]3CCCCN3)C2)nc2ccccc21
InChIInChI=1S/C21H30N4O/c1-15(2)25-19-11-4-3-9-17(19)23-20(25)16-8-7-13-24(14-16)21(26)18-10-5-6-12-22-18/h3-4,9,11,15-16,18,22H,5-8,10,12-14H2,1-2H3/t16?,18-/m1/s1
InChIKeyOEEUXXVPAUUXQY-UHUGOGIASA-N
MW354.50 g/mol
LogP3.47
Rot. Bonds3

About [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone

[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 119887232) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID119887232
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)n1c(C2CCCN(C(=O)[C@H]3CCCCN3)C2)nc2ccccc21
InChIInChI=1S/C21H30N4O/c1-15(2)25-19-11-4-3-9-17(19)23-20(25)16-8-7-13-24(14-16)21(26)18-10-5-6-12-22-18/h3-4,9,11,15-16,18,22H,5-8,10,12-14H2,1-2H3/t16?,18-/m1/s1
InChIKeyOEEUXXVPAUUXQY-UHUGOGIASA-N
XLogP3.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 120636549
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119887269
cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 102559687
1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 46976077
1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 92628115
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 154844185
2-(azepan-2-yl)-1-propan-2-ylbenzimidazole
CID 64559378
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693

Frequently Asked Questions

What is the IUPAC name of [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 119887232) is [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone is CC(C)n1c(C2CCCN(C(=O)[C@H]3CCCCN3)C2)nc2ccccc21.
What is the InChIKey of [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is OEEUXXVPAUUXQY-UHUGOGIASA-N. The full InChI is InChI=1S/C21H30N4O/c1-15(2)25-19-11-4-3-9-17(19)23-20(25)16-8-7-13-24(14-16)21(26)18-10-5-6-12-22-18/h3-4,9,11,15-16,18,22H,5-8,10,12-14H2,1-2H3/t16?,18-/m1/s1.
What are the key properties of [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 354.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119887232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).