2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone

C19H27NO — CID 26390637

IUPAC2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCc1ccccc1CC[C@@H]1CCCN(C(=O)CC2CC2)C1
InChIInChI=1S/C19H27NO/c1-15-5-2-3-7-18(15)11-10-17-6-4-12-20(14-17)19(21)13-16-8-9-16/h2-3,5,7,16-17H,4,6,8-14H2,1H3/t17-/m0/s1
InChIKeyZHVDOJZYQMPWEM-KRWDZBQOSA-N
MW285.43 g/mol
LogP3.97
Rot. Bonds5

About 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone

2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 26390637) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID26390637
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCc1ccccc1CC[C@@H]1CCCN(C(=O)CC2CC2)C1
InChIInChI=1S/C19H27NO/c1-15-5-2-3-7-18(15)11-10-17-6-4-12-20(14-17)19(21)13-16-8-9-16/h2-3,5,7,16-17H,4,6,8-14H2,1H3/t17-/m0/s1
InChIKeyZHVDOJZYQMPWEM-KRWDZBQOSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56878402
1-[3-(2-bromoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 80668955
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 45253107
6-methyl-5-[2-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95545178
3-(2-methylimidazol-1-yl)-1-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 45208694
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
(3-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 25452784
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone (CID 26390637) is 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone is Cc1ccccc1CC[C@@H]1CCCN(C(=O)CC2CC2)C1.
What is the InChIKey of 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is ZHVDOJZYQMPWEM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27NO/c1-15-5-2-3-7-18(15)11-10-17-6-4-12-20(14-17)19(21)13-16-8-9-16/h2-3,5,7,16-17H,4,6,8-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 285.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 26390637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).