2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone

C17H26N2O — CID 120705338

IUPAC2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCCC1CCCc1ccccc1
InChIInChI=1S/C17H26N2O/c1-18-14-17(20)19-13-6-5-11-16(19)12-7-10-15-8-3-2-4-9-15/h2-4,8-9,16,18H,5-7,10-14H2,1H3
InChIKeyILWPCHGTNFXRNF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.61
Rot. Bonds6

About 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone

2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone (PubChem CID 120705338) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
PubChem CID120705338
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCCC1CCCc1ccccc1
InChIInChI=1S/C17H26N2O/c1-18-14-17(20)19-13-6-5-11-16(19)12-7-10-15-8-3-2-4-9-15/h2-4,8-9,16,18H,5-7,10-14H2,1H3
InChIKeyILWPCHGTNFXRNF-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
1-[2-oxo-2-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 129393001
[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 99777092
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide
CID 129429786
1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030915
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
CID 84600963

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone (CID 120705338) is 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone is CNCC(=O)N1CCCCC1CCCc1ccccc1.
What is the InChIKey of 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone?
The InChIKey is ILWPCHGTNFXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18-14-17(20)19-13-6-5-11-16(19)12-7-10-15-8-3-2-4-9-15/h2-4,8-9,16,18H,5-7,10-14H2,1H3.
What are the key properties of 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone?
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone has a molecular weight of 274.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 120705338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).