1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one

C18H28N2O — CID 119488071

IUPAC1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
SMILESCCC(CC(=O)N1CCCC(NC)C1)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-4-15(16-9-7-14(2)8-10-16)12-18(21)20-11-5-6-17(13-20)19-3/h7-10,15,17,19H,4-6,11-13H2,1-3H3
InChIKeyNQROPHFVIIBVNP-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.09
Rot. Bonds5

About 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one

1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one (PubChem CID 119488071) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
PubChem CID119488071
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
SMILESCCC(CC(=O)N1CCCC(NC)C1)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-4-15(16-9-7-14(2)8-10-16)12-18(21)20-11-5-6-17(13-20)19-3/h7-10,15,17,19H,4-6,11-13H2,1-3H3
InChIKeyNQROPHFVIIBVNP-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119377565
1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 119487428
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119644558
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119517112
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
(3S)-1-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124587850
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 120684317
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
CID 119487798
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488419
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one (CID 119488071) is 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one is CCC(CC(=O)N1CCCC(NC)C1)c1ccc(C)cc1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one?
The InChIKey is NQROPHFVIIBVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-15(16-9-7-14(2)8-10-16)12-18(21)20-11-5-6-17(13-20)19-3/h7-10,15,17,19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one?
1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one is sourced from PubChem (CID 119488071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).