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

C15H20ClN3O2 — CID 81118449

IUPAC(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)[C@H]2CCCNC2)ccc1Cl
InChIInChI=1S/C15H20ClN3O2/c1-19(2)15(21)12-8-11(5-6-13(12)16)18-14(20)10-4-3-7-17-9-10/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyHMNCAWCEJLLDKF-JTQLQIEISA-N
MW309.80 g/mol
LogP1.98
Rot. Bonds3

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

(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 81118449) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID81118449
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)[C@H]2CCCNC2)ccc1Cl
InChIInChI=1S/C15H20ClN3O2/c1-19(2)15(21)12-8-11(5-6-13(12)16)18-14(20)10-4-3-7-17-9-10/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyHMNCAWCEJLLDKF-JTQLQIEISA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 81118449) is (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide is CN(C)C(=O)c1cc(NC(=O)[C@H]2CCCNC2)ccc1Cl.
What is the InChIKey of (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is HMNCAWCEJLLDKF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-19(2)15(21)12-8-11(5-6-13(12)16)18-14(20)10-4-3-7-17-9-10/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide?
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81118449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).