1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one

C20H29N3O2 — CID 99775938

IUPAC1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C20H29N3O2/c21-18(14-16-6-2-1-3-7-16)20(25)22-12-9-17(10-13-22)15-23-11-5-4-8-19(23)24/h1-3,6-7,17-18H,4-5,8-15,21H2/t18-/m0/s1
InChIKeyWFIUUBIHDZJHSL-SFHVURJKSA-N
MW343.47 g/mol
LogP1.81
Rot. Bonds5

About 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one

1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 99775938) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
PubChem CID99775938
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C20H29N3O2/c21-18(14-16-6-2-1-3-7-16)20(25)22-12-9-17(10-13-22)15-23-11-5-4-8-19(23)24/h1-3,6-7,17-18H,4-5,8-15,21H2/t18-/m0/s1
InChIKeyWFIUUBIHDZJHSL-SFHVURJKSA-N
XLogP1.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119843113
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
1-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 119794155
1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70784494
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119945615
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one (CID 99775938) is 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one is N[C@@H](Cc1ccccc1)C(=O)N1CCC(CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is WFIUUBIHDZJHSL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-18(14-16-6-2-1-3-7-16)20(25)22-12-9-17(10-13-22)15-23-11-5-4-8-19(23)24/h1-3,6-7,17-18H,4-5,8-15,21H2/t18-/m0/s1.
What are the key properties of 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 99775938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).