1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride

C20H33Cl2N3O — CID 119558347

IUPAC1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H31N3O.2ClH/c24-20(22-13-11-17-9-6-12-21-15-17)19-10-4-5-14-23(19)16-18-7-2-1-3-8-18;;/h1-3,7-8,17,19,21H,4-6,9-16H2,(H,22,24);2*1H
InChIKeyZBUYNQOFZVDBPZ-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.39
Rot. Bonds6

About 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride

1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride (PubChem CID 119558347) has the molecular formula C20H33Cl2N3O and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
PubChem CID119558347
Molecular FormulaC20H33Cl2N3O
Molecular Weight402.41 g/mol
Exact Mass401.20
IUPAC Name1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H31N3O.2ClH/c24-20(22-13-11-17-9-6-12-21-15-17)19-10-4-5-14-23(19)16-18-7-2-1-3-8-18;;/h1-3,7-8,17,19,21H,4-6,9-16H2,(H,22,24);2*1H
InChIKeyZBUYNQOFZVDBPZ-UHFFFAOYSA-N
XLogP3.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119559231
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119555709
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119533650
4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119557227
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride (CID 119558347) is 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCCNC1)C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride?
The InChIKey is ZBUYNQOFZVDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.2ClH/c24-20(22-13-11-17-9-6-12-21-15-17)19-10-4-5-14-23(19)16-18-7-2-1-3-8-18;;/h1-3,7-8,17,19,21H,4-6,9-16H2,(H,22,24);2*1H.
What are the key properties of 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride?
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride has a molecular weight of 402.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119558347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).