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

C21H27N3O — CID 102559687

IUPACcyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)n1c(C2CCCN(C(=O)C3=CCCC3)C2)nc2ccccc21
InChIInChI=1S/C21H27N3O/c1-15(2)24-19-12-6-5-11-18(19)22-20(24)17-10-7-13-23(14-17)21(25)16-8-3-4-9-16/h5-6,8,11-12,15,17H,3-4,7,9-10,13-14H2,1-2H3
InChIKeyRPWPRSKWRFUDOJ-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.43
Rot. Bonds3

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

cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 102559687) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID102559687
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Namecyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)n1c(C2CCCN(C(=O)C3=CCCC3)C2)nc2ccccc21
InChIInChI=1S/C21H27N3O/c1-15(2)24-19-12-6-5-11-18(19)22-20(24)17-10-7-13-23(14-17)21(25)16-8-3-4-9-16/h5-6,8,11-12,15,17H,3-4,7,9-10,13-14H2,1-2H3
InChIKeyRPWPRSKWRFUDOJ-UHFFFAOYSA-N
XLogP4.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 146361758
[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 119887232
(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 154844185
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea
CID 99808037
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 120636549
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
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
3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119887269

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 102559687) is cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone is CC(C)n1c(C2CCCN(C(=O)C3=CCCC3)C2)nc2ccccc21.
What is the InChIKey of cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RPWPRSKWRFUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15(2)24-19-12-6-5-11-18(19)22-20(24)17-10-7-13-23(14-17)21(25)16-8-3-4-9-16/h5-6,8,11-12,15,17H,3-4,7,9-10,13-14H2,1-2H3.
What are the key properties of cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 337.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 102559687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).