1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 120599716

IUPAC1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)C2CCCN2Cc2ccccc2)CCN1.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-14-12-16(9-10-19-14)20-18(22)17-8-5-11-21(17)13-15-6-3-2-4-7-15;;/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3,(H,20,22);2*1H
InChIKeyXGXZWZFVFVCLCY-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.75
Rot. Bonds4

About 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride

1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 120599716) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID120599716
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)C2CCCN2Cc2ccccc2)CCN1.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-14-12-16(9-10-19-14)20-18(22)17-8-5-11-21(17)13-15-6-3-2-4-7-15;;/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3,(H,20,22);2*1H
InChIKeyXGXZWZFVFVCLCY-UHFFFAOYSA-N
XLogP2.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120599363
methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
CID 51093260
(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
CID 120601731
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 120599408
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide
CID 120636405
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride (CID 120599716) is 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride is CC1CC(NC(=O)C2CCCN2Cc2ccccc2)CCN1.Cl.Cl.
What is the InChIKey of 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is XGXZWZFVFVCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c1-14-12-16(9-10-19-14)20-18(22)17-8-5-11-21(17)13-15-6-3-2-4-7-15;;/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3,(H,20,22);2*1H.
What are the key properties of 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride?
1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120599716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).