[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone

C20H29NO2 — CID 25279925

IUPAC[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)[C@@H]2CCCN(C3CCCC3)C2)cc1C
InChIInChI=1S/C20H29NO2/c1-14-11-17(12-15(2)20(14)23-3)19(22)16-7-6-10-21(13-16)18-8-4-5-9-18/h11-12,16,18H,4-10,13H2,1-3H3/t16-/m1/s1
InChIKeyQMRPJUIDZIQDDB-MRXNPFEDSA-N
MW315.46 g/mol
LogP4.15
Rot. Bonds4

About [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone

[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 25279925) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID25279925
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)[C@@H]2CCCN(C3CCCC3)C2)cc1C
InChIInChI=1S/C20H29NO2/c1-14-11-17(12-15(2)20(14)23-3)19(22)16-7-6-10-21(13-16)18-8-4-5-9-18/h11-12,16,18H,4-10,13H2,1-3H3/t16-/m1/s1
InChIKeyQMRPJUIDZIQDDB-MRXNPFEDSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42567289
(4-methoxy-3,5-dimethylphenyl)-[1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 45219638
(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
[1-[4-(dimethylamino)benzoyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45199439
5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one
CID 95719495
(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
CID 95545192
ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 23723203
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95564061
(4-methoxy-3,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171940671
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]methanone
CID 95726966
N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 45207136

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone (CID 25279925) is [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)[C@@H]2CCCN(C3CCCC3)C2)cc1C.
What is the InChIKey of [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is QMRPJUIDZIQDDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29NO2/c1-14-11-17(12-15(2)20(14)23-3)19(22)16-7-6-10-21(13-16)18-8-4-5-9-18/h11-12,16,18H,4-10,13H2,1-3H3/t16-/m1/s1.
What are the key properties of [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 315.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 25279925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).