N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride

C21H32ClN3O2 — CID 119698231

IUPACN-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCC(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16(17-7-11-22-12-8-17)15-20(25)24-13-9-19(10-14-24)23-21(26)18-5-3-2-4-6-18;/h2-6,16-17,19,22H,7-15H2,1H3,(H,23,26);1H
InChIKeyGBNRKTXUIRSRDB-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.86
Rot. Bonds5

About N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride

N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119698231) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID119698231
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC NameN-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCC(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16(17-7-11-22-12-8-17)15-20(25)24-13-9-19(10-14-24)23-21(26)18-5-3-2-4-6-18;/h2-6,16-17,19,22H,7-15H2,1H3,(H,23,26);1H
InChIKeyGBNRKTXUIRSRDB-UHFFFAOYSA-N
XLogP2.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
CID 119692632
1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
1-(4-phenoxypiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119725118
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride (CID 119698231) is N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride is CC(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C1CCNCC1.Cl.
What is the InChIKey of N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is GBNRKTXUIRSRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-16(17-7-11-22-12-8-17)15-20(25)24-13-9-19(10-14-24)23-21(26)18-5-3-2-4-6-18;/h2-6,16-17,19,22H,7-15H2,1H3,(H,23,26);1H.
What are the key properties of N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride?
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119698231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).