(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide

C15H23N3O — CID 81123295

IUPAC(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C15H23N3O/c1-18(2)11-12-5-3-7-14(9-12)17-15(19)13-6-4-8-16-10-13/h3,5,7,9,13,16H,4,6,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyKMVOZSNUIASNGV-CYBMUJFWSA-N
MW261.37 g/mol
LogP1.69
Rot. Bonds4

About (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide

(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide (PubChem CID 81123295) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
PubChem CID81123295
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C15H23N3O/c1-18(2)11-12-5-3-7-14(9-12)17-15(19)13-6-4-8-16-10-13/h3,5,7,9,13,16H,4,6,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyKMVOZSNUIASNGV-CYBMUJFWSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
methyl 2-[[3-(piperidine-3-carbonylamino)phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318862
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769
(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
CID 81119695
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119327223

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide (CID 81123295) is (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide is CN(C)Cc1cccc(NC(=O)[C@@H]2CCCNC2)c1.
What is the InChIKey of (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is KMVOZSNUIASNGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)11-12-5-3-7-14(9-12)17-15(19)13-6-4-8-16-10-13/h3,5,7,9,13,16H,4,6,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide?
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81123295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).