[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone

C19H27NO — CID 51928091

IUPAC[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1
InChIInChI=1S/C19H27NO/c1-14-3-5-16(6-4-14)7-8-17-9-11-20(12-10-17)19(21)18-13-15(18)2/h3-6,15,17-18H,7-13H2,1-2H3/t15-,18+/m0/s1
InChIKeyCZSMTMLYCSHLIO-MAUKXSAKSA-N
MW285.43 g/mol
LogP3.82
Rot. Bonds4

About [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone

[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 51928091) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID51928091
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1
InChIInChI=1S/C19H27NO/c1-14-3-5-16(6-4-14)7-8-17-9-11-20(12-10-17)19(21)18-13-15(18)2/h3-6,15,17-18H,7-13H2,1-2H3/t15-,18+/m0/s1
InChIKeyCZSMTMLYCSHLIO-MAUKXSAKSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 124696685
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261
1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 42937923
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119698256
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone (CID 51928091) is [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone is Cc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1.
What is the InChIKey of [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is CZSMTMLYCSHLIO-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H27NO/c1-14-3-5-16(6-4-14)7-8-17-9-11-20(12-10-17)19(21)18-13-15(18)2/h3-6,15,17-18H,7-13H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 285.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 51928091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).