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

C13H17Cl3N2O — CID 66770544

IUPAC1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O.ClH/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);1H
InChIKeyDNCHPNSVFPBSQD-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.11
Rot. Bonds3

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

1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 66770544) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID66770544
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O.ClH/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);1H
InChIKeyDNCHPNSVFPBSQD-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
(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 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 66770544) is 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cl.NC(=O)C1CCCN(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is DNCHPNSVFPBSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/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);1H.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 66770544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).