N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride

C16H27Cl2N3O — CID 119887720

IUPACN-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)C2CCCNC2)c(CN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-6-7-15(14(9-12)11-19(2)3)18-16(20)13-5-4-8-17-10-13;;/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20);2*1H
InChIKeyCTFNEJPVELYDQN-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.84
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride

N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119887720) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119887720
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)C2CCCNC2)c(CN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-6-7-15(14(9-12)11-19(2)3)18-16(20)13-5-4-8-17-10-13;;/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20);2*1H
InChIKeyCTFNEJPVELYDQN-UHFFFAOYSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
(2S,4S)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636792
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
CID 81119695
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride (CID 119887720) is N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride is Cc1ccc(NC(=O)C2CCCNC2)c(CN(C)C)c1.Cl.Cl.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is CTFNEJPVELYDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12-6-7-15(14(9-12)11-19(2)3)18-16(20)13-5-4-8-17-10-13;;/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride?
N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119887720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).