5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one

C16H22N2O — CID 79978123

IUPAC5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
SMILESCCN1C(=O)CCC(N)C1c1cccc(C2CC2)c1
InChIInChI=1S/C16H22N2O/c1-2-18-15(19)9-8-14(17)16(18)13-5-3-4-12(10-13)11-6-7-11/h3-5,10-11,14,16H,2,6-9,17H2,1H3
InChIKeyPKULQBQLNGXNGM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.57
Rot. Bonds3

About 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one

5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one (PubChem CID 79978123) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
PubChem CID79978123
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
SMILESCCN1C(=O)CCC(N)C1c1cccc(C2CC2)c1
InChIInChI=1S/C16H22N2O/c1-2-18-15(19)9-8-14(17)16(18)13-5-3-4-12(10-13)11-6-7-11/h3-5,10-11,14,16H,2,6-9,17H2,1H3
InChIKeyPKULQBQLNGXNGM-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
CID 79973429
6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one
CID 79978466
5-amino-6-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-2-one
CID 81441259
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
CID 82193447
5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
CID 115529120
5-amino-1-ethyl-6-methylpiperidin-2-one
CID 83682095
2-[3-(difluoromethyl)phenyl]-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 115528867
(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 110090490
6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one
CID 103573255
2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 79977748
6-(3-aminophenyl)-1-ethylpiperidine-2,5-dione
CID 105490911

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one?
The IUPAC name of 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one (CID 79978123) is 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one is CCN1C(=O)CCC(N)C1c1cccc(C2CC2)c1.
What is the InChIKey of 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one?
The InChIKey is PKULQBQLNGXNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18-15(19)9-8-14(17)16(18)13-5-3-4-12(10-13)11-6-7-11/h3-5,10-11,14,16H,2,6-9,17H2,1H3.
What are the key properties of 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one?
5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one is sourced from PubChem (CID 79978123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).