N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride

C19H31Cl2N3O — CID 119946069

IUPACN-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCNC1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-19(10-5-11-20-15-19)18(23)21-17-8-12-22(13-9-17)14-16-6-3-2-4-7-16;;/h2-4,6-7,17,20H,5,8-15H2,1H3,(H,21,23);2*1H
InChIKeyIIIXDDKOOJDCAX-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.00
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride

N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride (PubChem CID 119946069) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
PubChem CID119946069
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCNC1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-19(10-5-11-20-15-19)18(23)21-17-8-12-22(13-9-17)14-16-6-3-2-4-7-16;;/h2-4,6-7,17,20H,5,8-15H2,1H3,(H,21,23);2*1H
InChIKeyIIIXDDKOOJDCAX-UHFFFAOYSA-N
XLogP3.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944165
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
CID 86816799
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 119389165
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride (CID 119946069) is N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride is CC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCNC1.Cl.Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride?
The InChIKey is IIIXDDKOOJDCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-19(10-5-11-20-15-19)18(23)21-17-8-12-22(13-9-17)14-16-6-3-2-4-7-16;;/h2-4,6-7,17,20H,5,8-15H2,1H3,(H,21,23);2*1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride?
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).