N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride

C17H27Cl2N3O — CID 119831668

IUPACN-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(Cc2ccccc2)C1)C1CCNCC1
InChIInChI=1S/C17H25N3O.2ClH/c21-17(15-6-9-18-10-7-15)19-16-8-11-20(13-16)12-14-4-2-1-3-5-14;;/h1-5,15-16,18H,6-13H2,(H,19,21);2*1H
InChIKeyRIENYEUPPDLHDZ-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.22
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride

N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 119831668) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
PubChem CID119831668
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC NameN-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(Cc2ccccc2)C1)C1CCNCC1
InChIInChI=1S/C17H25N3O.2ClH/c21-17(15-6-9-18-10-7-15)19-16-8-11-20(13-16)12-14-4-2-1-3-5-14;;/h1-5,15-16,18H,6-13H2,(H,19,21);2*1H
InChIKeyRIENYEUPPDLHDZ-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 70690145
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride (CID 119831668) is N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(Cc2ccccc2)C1)C1CCNCC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is RIENYEUPPDLHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c21-17(15-6-9-18-10-7-15)19-16-8-11-20(13-16)12-14-4-2-1-3-5-14;;/h1-5,15-16,18H,6-13H2,(H,19,21);2*1H.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119831668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).