(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C19H29N3O — CID 119842941

IUPAC(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H29N3O/c20-18(15-16-7-3-1-4-8-16)19(23)22-13-9-17(10-14-22)21-11-5-2-6-12-21/h1,3-4,7-8,17-18H,2,5-6,9-15,20H2/t18-/m0/s1
InChIKeyIZVCDAFLTARRDX-SFHVURJKSA-N
MW315.46 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 119842941) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID119842941
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H29N3O/c20-18(15-16-7-3-1-4-8-16)19(23)22-13-9-17(10-14-22)21-11-5-2-6-12-21/h1,3-4,7-8,17-18H,2,5-6,9-15,20H2/t18-/m0/s1
InChIKeyIZVCDAFLTARRDX-SFHVURJKSA-N
XLogP2.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 68710822
(2S)-2-amino-3-(4-amino-3,5-dibromophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 57270181
(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
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119843113
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119278106
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 119842941) is (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is N[C@@H](Cc1ccccc1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is IZVCDAFLTARRDX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O/c20-18(15-16-7-3-1-4-8-16)19(23)22-13-9-17(10-14-22)21-11-5-2-6-12-21/h1,3-4,7-8,17-18H,2,5-6,9-15,20H2/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 315.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 119842941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).