N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide

C13H18ClN3O — CID 79152139

IUPACN-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cc(Cl)ccc2N)CC1
InChIInChI=1S/C13H18ClN3O/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18)
InChIKeyHIJFTNCMSOZIJW-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.19
Rot. Bonds1

About N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide

N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79152139) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID79152139
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cc(Cl)ccc2N)CC1
InChIInChI=1S/C13H18ClN3O/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18)
InChIKeyHIJFTNCMSOZIJW-UHFFFAOYSA-N
XLogP3.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412
N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 81273796
4-[(2-amino-5-chlorophenyl)carbamothioylamino]piperidine-1-carboxylic acid
CID 88752482
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199543

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide (CID 79152139) is N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cc(Cl)ccc2N)CC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is HIJFTNCMSOZIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide?
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79152139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).