(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid

C16H18Cl2N2O4 — CID 119237802

IUPAC(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C(=O)O
InChIInChI=1S/C16H18Cl2N2O4/c1-9(16(23)24)19-14(21)11-3-2-6-20(8-11)15(22)10-4-5-12(17)13(18)7-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,19,21)(H,23,24)/t9-,11?/m0/s1
InChIKeyQOIGGEYNKYXHOR-FTNKSUMCSA-N
MW373.24 g/mol
LogP2.43
Rot. Bonds4

About (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid

(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 119237802) has the molecular formula C16H18Cl2N2O4 and a molecular weight of 373.24 g/mol. Its IUPAC name is (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID119237802
Molecular FormulaC16H18Cl2N2O4
Molecular Weight373.24 g/mol
Exact Mass372.06
IUPAC Name(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C(=O)O
InChIInChI=1S/C16H18Cl2N2O4/c1-9(16(23)24)19-14(21)11-3-2-6-20(8-11)15(22)10-4-5-12(17)13(18)7-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,19,21)(H,23,24)/t9-,11?/m0/s1
InChIKeyQOIGGEYNKYXHOR-FTNKSUMCSA-N
XLogP2.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646
1-(3,4-dichlorobenzoyl)-N-[1-(dimethylamino)-3-phenylpropan-2-yl]piperidine-3-carboxamide
CID 55952518
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119170132
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427
1-(3,4-dichlorobenzoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55633629
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid (CID 119237802) is (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid is C[C@H](NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C(=O)O.
What is the InChIKey of (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is QOIGGEYNKYXHOR-FTNKSUMCSA-N. The full InChI is InChI=1S/C16H18Cl2N2O4/c1-9(16(23)24)19-14(21)11-3-2-6-20(8-11)15(22)10-4-5-12(17)13(18)7-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,19,21)(H,23,24)/t9-,11?/m0/s1.
What are the key properties of (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid?
(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 373.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119237802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).