(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride

C16H27Cl2N3O — CID 119883129

IUPAC(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
SMILESCC(C)N(C)c1cccc(NC(=O)[C@H]2CCCCN2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12(2)19(3)14-8-6-7-13(11-14)18-16(20)15-9-4-5-10-17-15;;/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3,(H,18,20);2*1H/t15-;;/m1../s1
InChIKeyNDHNKGZLDHETNU-QCUBGVIVSA-N
MW348.32 g/mol
LogP3.46
Rot. Bonds4

About (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119883129) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119883129
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
SMILESCC(C)N(C)c1cccc(NC(=O)[C@H]2CCCCN2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12(2)19(3)14-8-6-7-13(11-14)18-16(20)15-9-4-5-10-17-15;;/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3,(H,18,20);2*1H/t15-;;/m1../s1
InChIKeyNDHNKGZLDHETNU-QCUBGVIVSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
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(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
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(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 154912466
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
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N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride (CID 119883129) is (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride is CC(C)N(C)c1cccc(NC(=O)[C@H]2CCCCN2)c1.Cl.Cl.
What is the InChIKey of (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is NDHNKGZLDHETNU-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12(2)19(3)14-8-6-7-13(11-14)18-16(20)15-9-4-5-10-17-15;;/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3,(H,18,20);2*1H/t15-;;/m1../s1.
What are the key properties of (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119883129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).