2-(1-phenylpropylamino)-1-piperidin-1-ylethanone

C16H24N2O — CID 54845364

IUPAC2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
SMILESCCC(NCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(14-9-5-3-6-10-14)17-13-16(19)18-11-7-4-8-12-18/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3
InChIKeyCGEQXJQLNSMVIP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.74
Rot. Bonds5

About 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone

2-(1-phenylpropylamino)-1-piperidin-1-ylethanone (PubChem CID 54845364) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
PubChem CID54845364
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
SMILESCCC(NCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(14-9-5-3-6-10-14)17-13-16(19)18-11-7-4-8-12-18/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3
InChIKeyCGEQXJQLNSMVIP-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
CID 62304031
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
2-(1,2-diphenylethylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 55540684
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
CID 55036831
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
CID 43392858

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone (CID 54845364) is 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone is CCC(NCC(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone?
The InChIKey is CGEQXJQLNSMVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(14-9-5-3-6-10-14)17-13-16(19)18-11-7-4-8-12-18/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3.
What are the key properties of 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone?
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone has a molecular weight of 260.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 54845364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).