(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide

C13H17Cl2N3O — CID 126422673

IUPAC(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESN[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N3O/c14-10-4-3-9(12(15)6-10)7-17-13(19)18-5-1-2-11(16)8-18/h3-4,6,11H,1-2,5,7-8,16H2,(H,17,19)/t11-/m1/s1
InChIKeyUPKFNVALDIWPMD-LLVKDONJSA-N
MW302.20 g/mol
LogP2.63
Rot. Bonds2

About (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide

(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 126422673) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
PubChem CID126422673
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESN[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N3O/c14-10-4-3-9(12(15)6-10)7-17-13(19)18-5-1-2-11(16)8-18/h3-4,6,11H,1-2,5,7-8,16H2,(H,17,19)/t11-/m1/s1
InChIKeyUPKFNVALDIWPMD-LLVKDONJSA-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

(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72912147
4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane
CID 173135978
4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 24748603
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649
2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403173
(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126431385
4-[[(3-aminopiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 61403953
1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122004839
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 124611116
1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 119378981
4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide (CID 126422673) is (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide is N[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is UPKFNVALDIWPMD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-10-4-3-9(12(15)6-10)7-17-13(19)18-5-1-2-11(16)8-18/h3-4,6,11H,1-2,5,7-8,16H2,(H,17,19)/t11-/m1/s1.
What are the key properties of (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
(3R)-3-amino-N-[(2,4-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 (3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126422673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).