3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one

C18H28N2O — CID 78860650

IUPAC3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(NCCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-15(2)18(16-9-5-3-6-10-16)19-12-11-17(21)20-13-7-4-8-14-20/h3,5-6,9-10,15,18-19H,4,7-8,11-14H2,1-2H3
InChIKeyZFTDWYNBORRTQV-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.38
Rot. Bonds6

About 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one

3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 78860650) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID78860650
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(NCCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-15(2)18(16-9-5-3-6-10-16)19-12-11-17(21)20-13-7-4-8-14-20/h3,5-6,9-10,15,18-19H,4,7-8,11-14H2,1-2H3
InChIKeyZFTDWYNBORRTQV-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115753017
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 86794928

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one (CID 78860650) is 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one is CC(C)C(NCCC(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ZFTDWYNBORRTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(2)18(16-9-5-3-6-10-16)19-12-11-17(21)20-13-7-4-8-14-20/h3,5-6,9-10,15,18-19H,4,7-8,11-14H2,1-2H3.
What are the key properties of 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78860650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).