N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide

C16H24ClN3O — CID 114428363

IUPACN-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2ccc(N(C)C)c(Cl)c2)C1
InChIInChI=1S/C16H24ClN3O/c1-4-11-7-8-18-14(9-11)16(21)19-12-5-6-15(20(2)3)13(17)10-12/h5-6,10-11,14,18H,4,7-9H2,1-3H3,(H,19,21)
InChIKeyOKTVYJXBAAECEE-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.12
Rot. Bonds4

About N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide

N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide (PubChem CID 114428363) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
PubChem CID114428363
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2ccc(N(C)C)c(Cl)c2)C1
InChIInChI=1S/C16H24ClN3O/c1-4-11-7-8-18-14(9-11)16(21)19-12-5-6-15(20(2)3)13(17)10-12/h5-6,10-11,14,18H,4,7-9H2,1-3H3,(H,19,21)
InChIKeyOKTVYJXBAAECEE-UHFFFAOYSA-N
XLogP3.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
N-[6-(dimethylamino)-3-pyridinyl]-4-ethylpiperidine-2-carboxamide
CID 114428224
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
CID 114428009
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114428835
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067583
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427824
N-(2-chloro-6-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114429222

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide (CID 114428363) is N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2ccc(N(C)C)c(Cl)c2)C1.
What is the InChIKey of N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide?
The InChIKey is OKTVYJXBAAECEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-11-7-8-18-14(9-11)16(21)19-12-5-6-15(20(2)3)13(17)10-12/h5-6,10-11,14,18H,4,7-9H2,1-3H3,(H,19,21).
What are the key properties of N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide?
N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.12, 4 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]-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).