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

C13H16Cl2N2O — CID 26458106

IUPAC(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O/c14-11-5-1-3-9(12(11)15)7-17-6-2-4-10(8-17)13(16)18/h1,3,5,10H,2,4,6-8H2,(H2,16,18)/t10-/m0/s1
InChIKeyHKTANZFQTNNOIG-JTQLQIEISA-N
MW287.19 g/mol
LogP2.69
Rot. Bonds3

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

(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 26458106) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID26458106
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O/c14-11-5-1-3-9(12(11)15)7-17-6-2-4-10(8-17)13(16)18/h1,3,5,10H,2,4,6-8H2,(H2,16,18)/t10-/m0/s1
InChIKeyHKTANZFQTNNOIG-JTQLQIEISA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
2-amino-6-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 104824237
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 47090669
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
1-[(2-chloro-3-fluorophenyl)methyl]piperidine-3-carbothioamide
CID 112652292
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 26458106) is (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is HKTANZFQTNNOIG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-11-5-1-3-9(12(11)15)7-17-6-2-4-10(8-17)13(16)18/h1,3,5,10H,2,4,6-8H2,(H2,16,18)/t10-/m0/s1.
What are the key properties of (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide?
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 26458106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).