1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide

C13H18ClN3O — CID 63745227

IUPAC1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2c(N)cccc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c14-11-4-1-5-12(15)10(11)8-17-6-2-3-9(7-17)13(16)18/h1,4-5,9H,2-3,6-8,15H2,(H2,16,18)
InChIKeyFFCGWWOYBRRERE-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.62
Rot. Bonds3

About 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide

1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 63745227) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID63745227
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2c(N)cccc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c14-11-4-1-5-12(15)10(11)8-17-6-2-3-9(7-17)13(16)18/h1,4-5,9H,2-3,6-8,15H2,(H2,16,18)
InChIKeyFFCGWWOYBRRERE-UHFFFAOYSA-N
XLogP1.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
2-amino-6-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 104824237
3-chloro-2-[(3-ethylpiperidin-1-yl)methyl]aniline
CID 63745585
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 43923255
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide (CID 63745227) is 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2c(N)cccc2Cl)C1.
What is the InChIKey of 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is FFCGWWOYBRRERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-4-1-5-12(15)10(11)8-17-6-2-3-9(7-17)13(16)18/h1,4-5,9H,2-3,6-8,15H2,(H2,16,18).
What are the key properties of 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide?
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63745227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).