N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 122148359

IUPACN-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C2CCNC2)CCN1C.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-10-8-12(5-7-15(10)2)16(3)13(17)11-4-6-14-9-11;;/h10-12,14H,4-9H2,1-3H3;2*1H
InChIKeyBVSAUVOUJKBKAL-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.38
Rot. Bonds2

About N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride

N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 122148359) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride
PubChem CID122148359
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C2CCNC2)CCN1C.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-10-8-12(5-7-15(10)2)16(3)13(17)11-4-6-14-9-11;;/h10-12,14H,4-9H2,1-3H3;2*1H
InChIKeyBVSAUVOUJKBKAL-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 124693314
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 125119897
N-methyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 119285985
N-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119746215
(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
CID 55149876
cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
CID 177005866
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride (CID 122148359) is N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride is CC1CC(N(C)C(=O)C2CCNC2)CCN1C.Cl.Cl.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is BVSAUVOUJKBKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-10-8-12(5-7-15(10)2)16(3)13(17)11-4-6-14-9-11;;/h10-12,14H,4-9H2,1-3H3;2*1H.
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride?
N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 122148359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).