(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide

C14H20ClN3O — CID 93265591

IUPAC(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C14H20ClN3O/c1-18(2)13-10(15)6-5-8-11(13)17-14(19)12-7-3-4-9-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyOMUBAFYGRXZIEG-LBPRGKRZSA-N
MW281.79 g/mol
LogP2.49
Rot. Bonds3

About (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide

(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide (PubChem CID 93265591) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
PubChem CID93265591
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C14H20ClN3O/c1-18(2)13-10(15)6-5-8-11(13)17-14(19)12-7-3-4-9-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyOMUBAFYGRXZIEG-LBPRGKRZSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
(2R)-N-(3-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 28969312
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697653
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
CID 64563799
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913077
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide (CID 93265591) is (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is OMUBAFYGRXZIEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(2)13-10(15)6-5-8-11(13)17-14(19)12-7-3-4-9-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide?
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 93265591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).