N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride

C19H31Cl2N3O — CID 119857542

IUPACN-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCN(C(=O)C1CCCNC1)C1CCCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-21(19(23)17-9-5-11-20-13-17)18-10-6-12-22(15-18)14-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H
InChIKeyUXNBAMQBMSMAEV-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.95
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride

N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride (PubChem CID 119857542) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
PubChem CID119857542
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC NameN-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCN(C(=O)C1CCCNC1)C1CCCN(Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-21(19(23)17-9-5-11-20-13-17)18-10-6-12-22(15-18)14-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H
InChIKeyUXNBAMQBMSMAEV-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine
CID 104870055
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
CID 119878274
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603468

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride (CID 119857542) is N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride is CN(C(=O)C1CCCNC1)C1CCCN(Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride?
The InChIKey is UXNBAMQBMSMAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-21(19(23)17-9-5-11-20-13-17)18-10-6-12-22(15-18)14-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride?
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119857542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).