5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one

C18H26N2O — CID 79973429

IUPAC5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CN1C(=O)CCC(N)C1c1cccc(C2CC2)c1
InChIInChI=1S/C18H26N2O/c1-12(2)11-20-17(21)9-8-16(19)18(20)15-5-3-4-14(10-15)13-6-7-13/h3-5,10,12-13,16,18H,6-9,11,19H2,1-2H3
InChIKeyWUNBTHOKJMGXID-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.21
Rot. Bonds4

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

5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one (PubChem CID 79973429) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
PubChem CID79973429
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CN1C(=O)CCC(N)C1c1cccc(C2CC2)c1
InChIInChI=1S/C18H26N2O/c1-12(2)11-20-17(21)9-8-16(19)18(20)15-5-3-4-14(10-15)13-6-7-13/h3-5,10,12-13,16,18H,6-9,11,19H2,1-2H3
InChIKeyWUNBTHOKJMGXID-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
CID 79978123
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
6-amino-7-(3-chloro-4-methylphenyl)-1-(2-methylpropyl)azepan-2-one
CID 106818668
4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 66479503
5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
CID 82193456
2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 79977748
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-[3-amino-1-(2-methylpropyl)-5-oxopyrrolidin-2-yl]-2-fluorobenzonitrile
CID 107936946
5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one
CID 79977730
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 82193088

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one?
The IUPAC name of 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one (CID 79973429) is 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one is CC(C)CN1C(=O)CCC(N)C1c1cccc(C2CC2)c1.
What is the InChIKey of 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one?
The InChIKey is WUNBTHOKJMGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)11-20-17(21)9-8-16(19)18(20)15-5-3-4-14(10-15)13-6-7-13/h3-5,10,12-13,16,18H,6-9,11,19H2,1-2H3.
What are the key properties of 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one?
5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.21, 4 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-(2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 79973429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).