N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride

C22H37Cl2N3O — CID 119857579

IUPACN-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)N(C)C1CCCN(Cc2ccccc2)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C22H35N3O.2ClH/c1-18(20-10-12-23-13-11-20)15-22(26)24(2)21-9-6-14-25(17-21)16-19-7-4-3-5-8-19;;/h3-5,7-8,18,20-21,23H,6,9-17H2,1-2H3;2*1H
InChIKeyLWBHSCHOKYGBMD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.98
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride

N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119857579) has the molecular formula C22H37Cl2N3O and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119857579
Molecular FormulaC22H37Cl2N3O
Molecular Weight430.46 g/mol
Exact Mass429.23
IUPAC NameN-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)N(C)C1CCCN(Cc2ccccc2)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C22H35N3O.2ClH/c1-18(20-10-12-23-13-11-20)15-22(26)24(2)21-9-6-14-25(17-21)16-19-7-4-3-5-8-19;;/h3-5,7-8,18,20-21,23H,6,9-17H2,1-2H3;2*1H
InChIKeyLWBHSCHOKYGBMD-UHFFFAOYSA-N
XLogP3.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771595
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
N-(1-ethylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119841958
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 136511620

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119857579) is N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)N(C)C1CCCN(Cc2ccccc2)C1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is LWBHSCHOKYGBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O.2ClH/c1-18(20-10-12-23-13-11-20)15-22(26)24(2)21-9-6-14-25(17-21)16-19-7-4-3-5-8-19;;/h3-5,7-8,18,20-21,23H,6,9-17H2,1-2H3;2*1H.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride?
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 430.46 g/mol, XLogP of 3.98, 6 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-methyl-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119857579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).