(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide

C13H17Cl2N3O — CID 131895525

IUPAC(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESN[C@H]1CCCN(C(=O)NCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H17Cl2N3O/c14-11-5-1-3-9(12(11)15)7-17-13(19)18-6-2-4-10(16)8-18/h1,3,5,10H,2,4,6-8,16H2,(H,17,19)/t10-/m0/s1
InChIKeyOMXNCCBEYIAATO-JTQLQIEISA-N
MW302.20 g/mol
LogP2.63
Rot. Bonds2

About (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide

(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 131895525) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
PubChem CID131895525
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESN[C@H]1CCCN(C(=O)NCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H17Cl2N3O/c14-11-5-1-3-9(12(11)15)7-17-13(19)18-6-2-4-10(16)8-18/h1,3,5,10H,2,4,6-8,16H2,(H,17,19)/t10-/m0/s1
InChIKeyOMXNCCBEYIAATO-JTQLQIEISA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
4-[[(3-aminopiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 61403953
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649
(3R)-3-N-[2-(2,3-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95156511
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
CID 154795406
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide (CID 131895525) is (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide is N[C@H]1CCCN(C(=O)NCc2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is OMXNCCBEYIAATO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-11-5-1-3-9(12(11)15)7-17-13(19)18-6-2-4-10(16)8-18/h1,3,5,10H,2,4,6-8,16H2,(H,17,19)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide?
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 131895525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).