3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 119836645

IUPAC3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)NCCN2CCCCC2)CCNC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-13(5-6-14-11-13)12(17)15-7-10-16-8-3-2-4-9-16;;/h14H,2-11H2,1H3,(H,15,17);2*1H
InChIKeyZUKBCFGNDQSAQD-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.43
Rot. Bonds4

About 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride

3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119836645) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119836645
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)NCCN2CCCCC2)CCNC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-13(5-6-14-11-13)12(17)15-7-10-16-8-3-2-4-9-16;;/h14H,2-11H2,1H3,(H,15,17);2*1H
InChIKeyZUKBCFGNDQSAQD-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 70985347
N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63142239
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride (CID 119836645) is 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride is CC1(C(=O)NCCN2CCCCC2)CCNC1.Cl.Cl.
What is the InChIKey of 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is ZUKBCFGNDQSAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-13(5-6-14-11-13)12(17)15-7-10-16-8-3-2-4-9-16;;/h14H,2-11H2,1H3,(H,15,17);2*1H.
What are the key properties of 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride?
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119836645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).