(3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid

C22H26ClN3O3 — CID 146584322

IUPAC(3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid
SMILESN[C@@]1(Cc2ccc(Cl)cc2)CCCN(C(=O)[C@@H](CC(=O)O)Cc2cccnc2)C1
InChIInChI=1S/C22H26ClN3O3/c23-19-6-4-16(5-7-19)13-22(24)8-2-10-26(15-22)21(29)18(12-20(27)28)11-17-3-1-9-25-14-17/h1,3-7,9,14,18H,2,8,10-13,15,24H2,(H,27,28)/t18-,22-/m1/s1
InChIKeyQMGCOMIANFCCLP-XMSQKQJNSA-N
MW415.92 g/mol
LogP2.93
Rot. Bonds7

About (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid

(3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid (PubChem CID 146584322) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid.

Molecular Properties

Compound Name(3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid
PubChem CID146584322
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name(3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid
SMILESN[C@@]1(Cc2ccc(Cl)cc2)CCCN(C(=O)[C@@H](CC(=O)O)Cc2cccnc2)C1
InChIInChI=1S/C22H26ClN3O3/c23-19-6-4-16(5-7-19)13-22(24)8-2-10-26(15-22)21(29)18(12-20(27)28)11-17-3-1-9-25-14-17/h1,3-7,9,14,18H,2,8,10-13,15,24H2,(H,27,28)/t18-,22-/m1/s1
InChIKeyQMGCOMIANFCCLP-XMSQKQJNSA-N
XLogP2.93
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid 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

4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-benzyl-4-oxobutanoic acid
CID 146583918
(3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanoic acid
CID 146584583
4-[(3R)-3-[[(4S)-3-(2-aminopropanoyl)-2,2-dimethyl-1,3-oxazolidine-4-carbonyl]amino]-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid
CID 146584603
methyl (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-2-ylmethyl)butanoate
CID 156902921
4-[3-[(2-amino-3-methoxypropanoyl)amino]-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-benzyl-4-oxobutanoic acid
CID 146584193
(3R)-4-[(3R)-3-[[(2S)-2-amino-3-methoxypropanoyl]amino]-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-benzyl-4-oxobutanoic acid
CID 146584189
(3R)-4-[(3R)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methoxypropanoyl]-methylamino]-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-benzyl-4-oxobutanoic acid
CID 146584082
4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
CID 166652941
tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
CID 146631053
4-[(3R)-3-[(2-amino-3-methoxypropanoyl)amino]-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanoic acid
CID 146584389
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
CID 92573903
(3R)-4-[(3R)-3-[[(4S)-3-[(2S)-2-[[4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]phenyl]methylamino]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carbonyl]amino]-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid;hydrochloride
CID 146584908

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid?
The IUPAC name of (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid (CID 146584322) is (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid.
What is the SMILES notation for (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid?
The canonical SMILES for (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid is N[C@@]1(Cc2ccc(Cl)cc2)CCCN(C(=O)[C@@H](CC(=O)O)Cc2cccnc2)C1.
What is the InChIKey of (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid?
The InChIKey is QMGCOMIANFCCLP-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c23-19-6-4-16(5-7-19)13-22(24)8-2-10-26(15-22)21(29)18(12-20(27)28)11-17-3-1-9-25-14-17/h1,3-7,9,14,18H,2,8,10-13,15,24H2,(H,27,28)/t18-,22-/m1/s1.
What are the key properties of (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid?
(3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid has a molecular weight of 415.92 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-4-oxo-3-(pyridin-3-ylmethyl)butanoic acid is sourced from PubChem (CID 146584322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).