1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone

C16H24N2O — CID 94923523

IUPAC1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@H](C)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-13(12-15-6-4-3-5-7-15)17-16-8-10-18(11-9-16)14(2)19/h3-7,13,16-17H,8-12H2,1-2H3/t13-/m1/s1
InChIKeyWLTAEGUJMUDTGO-CYBMUJFWSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds4

About 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 94923523) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID94923523
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@H](C)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-13(12-15-6-4-3-5-7-15)17-16-8-10-18(11-9-16)14(2)19/h3-7,13,16-17H,8-12H2,1-2H3/t13-/m1/s1
InChIKeyWLTAEGUJMUDTGO-CYBMUJFWSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone
CID 19390855
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 95127154
1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 154739654
N-(1-phenylpropan-2-yl)spiro[4.5]decan-8-amine
CID 114817644
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
CID 43746850
methyl 4-[[(2S)-1-(2-methylsulfanylphenyl)propan-2-yl]amino]piperidine-1-carboxylate
CID 99853618
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 90770756

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone (CID 94923523) is 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N[C@H](C)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is WLTAEGUJMUDTGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(12-15-6-4-3-5-7-15)17-16-8-10-18(11-9-16)14(2)19/h3-7,13,16-17H,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 94923523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).