(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone

C19H27NO — CID 25458378

IUPAC(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccccc1CC[C@@H]1CCCN(C(=O)C2(C)CC2)C1
InChIInChI=1S/C19H27NO/c1-15-6-3-4-8-17(15)10-9-16-7-5-13-20(14-16)18(21)19(2)11-12-19/h3-4,6,8,16H,5,7,9-14H2,1-2H3/t16-/m0/s1
InChIKeyHWKLYYNCTSOLJP-INIZCTEOSA-N
MW285.43 g/mol
LogP3.97
Rot. Bonds4

About (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone

(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 25458378) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID25458378
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccccc1CC[C@@H]1CCCN(C(=O)C2(C)CC2)C1
InChIInChI=1S/C19H27NO/c1-15-6-3-4-8-17(15)10-9-16-7-5-13-20(14-16)18(21)19(2)11-12-19/h3-4,6,8,16H,5,7,9-14H2,1-2H3/t16-/m0/s1
InChIKeyHWKLYYNCTSOLJP-INIZCTEOSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56878402
(3-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25460748
1-[3-(2-bromoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 80668955
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56860981
2-methyl-5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56878773

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone (CID 25458378) is (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone is Cc1ccccc1CC[C@@H]1CCCN(C(=O)C2(C)CC2)C1.
What is the InChIKey of (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is HWKLYYNCTSOLJP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27NO/c1-15-6-3-4-8-17(15)10-9-16-7-5-13-20(14-16)18(21)19(2)11-12-19/h3-4,6,8,16H,5,7,9-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 285.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 25458378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).