(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride

C14H22ClN3O — CID 172646427

IUPAC(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
SMILESCN[C@@H]1CCCN(C(=O)Nc2ccccc2C)C1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11-6-3-4-8-13(11)16-14(18)17-9-5-7-12(10-17)15-2;/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3,(H,16,18);1H/t12-;/m1./s1
InChIKeyLRJBDHSVJFMKLZ-UTONKHPSSA-N
MW283.80 g/mol
LogP2.63
Rot. Bonds2

About (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride

(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride (PubChem CID 172646427) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
PubChem CID172646427
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
SMILESCN[C@@H]1CCCN(C(=O)Nc2ccccc2C)C1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11-6-3-4-8-13(11)16-14(18)17-9-5-7-12(10-17)15-2;/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3,(H,16,18);1H/t12-;/m1./s1
InChIKeyLRJBDHSVJFMKLZ-UTONKHPSSA-N
XLogP2.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62536380
1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 119489264
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 95561000
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071
(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 42512757
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92901094
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride (CID 172646427) is (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride is CN[C@@H]1CCCN(C(=O)Nc2ccccc2C)C1.Cl.
What is the InChIKey of (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride?
The InChIKey is LRJBDHSVJFMKLZ-UTONKHPSSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-11-6-3-4-8-13(11)16-14(18)17-9-5-7-12(10-17)15-2;/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3,(H,16,18);1H/t12-;/m1./s1.
What are the key properties of (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride?
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 172646427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).