N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride

C14H29Cl2N3O — CID 119855559

IUPACN-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCN1CCCC(CN(C)C(=O)C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-16-9-3-4-12(10-16)11-17(2)14(18)13-5-7-15-8-6-13;;/h12-13,15H,3-11H2,1-2H3;2*1H
InChIKeyYDOBIXWTTUQJEZ-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.63
Rot. Bonds3

About N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride

N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119855559) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119855559
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC NameN-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCN1CCCC(CN(C)C(=O)C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-16-9-3-4-12(10-16)11-17(2)14(18)13-5-7-15-8-6-13;;/h12-13,15H,3-11H2,1-2H3;2*1H
InChIKeyYDOBIXWTTUQJEZ-UHFFFAOYSA-N
XLogP1.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide
CID 115177847
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119855579
4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79700426
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 170730006
N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 124685267
(2S,4S)-N-(cyclopentylmethyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120628237
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 115160418
(2S)-2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide;dihydrochloride
CID 119855588
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride (CID 119855559) is N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride is CN1CCCC(CN(C)C(=O)C2CCNCC2)C1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is YDOBIXWTTUQJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-16-9-3-4-12(10-16)11-17(2)14(18)13-5-7-15-8-6-13;;/h12-13,15H,3-11H2,1-2H3;2*1H.
What are the key properties of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119855559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).