N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide

C14H20ClN3O — CID 54862779

IUPACN-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCNCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-18(2)13-4-3-11(9-12(13)15)17-14(19)10-5-7-16-8-6-10/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,19)
InChIKeyNLSXLIZXBJXZBG-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.34
Rot. Bonds3

About N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide

N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide (PubChem CID 54862779) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
PubChem CID54862779
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCNCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-18(2)13-4-3-11(9-12(13)15)17-14(19)10-5-7-16-8-6-10/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,19)
InChIKeyNLSXLIZXBJXZBG-UHFFFAOYSA-N
XLogP2.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067583
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
CID 114428363
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947
N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide
CID 90128547

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide (CID 54862779) is N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide is CN(C)c1ccc(NC(=O)C2CCNCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is NLSXLIZXBJXZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(2)13-4-3-11(9-12(13)15)17-14(19)10-5-7-16-8-6-10/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide?
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 54862779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).