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

C15H22ClN3O — CID 107067583

IUPACN-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-10-5-4-8-17-14(10)15(20)18-11-6-7-13(19(2)3)12(16)9-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyAPZAHEQTKFKFLN-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.73
Rot. Bonds3

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

N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107067583) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
PubChem CID107067583
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-10-5-4-8-17-14(10)15(20)18-11-6-7-13(19(2)3)12(16)9-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyAPZAHEQTKFKFLN-UHFFFAOYSA-N
XLogP2.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.73
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]piperidine-4-carboxamide
CID 54862779
N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
CID 107067581
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
CID 107067422
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
CID 114428363
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 107067148

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide (CID 107067583) is N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(N(C)C)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is APZAHEQTKFKFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-5-4-8-17-14(10)15(20)18-11-6-7-13(19(2)3)12(16)9-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3,(H,18,20).
What are the key properties of N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide?
N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.73, 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]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).