N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride

C21H32ClN3O2 — CID 119692632

IUPACN-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16(17-7-11-22-12-8-17)15-20(25)24-13-9-18(10-14-24)21(26)23-19-5-3-2-4-6-19;/h2-6,16-18,22H,7-15H2,1H3,(H,23,26);1H
InChIKeyLSDPMBCBHFSNTE-UHFFFAOYSA-N
MW393.96 g/mol
LogP3.31
Rot. Bonds5

About N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride

N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119692632) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119692632
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC NameN-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16(17-7-11-22-12-8-17)15-20(25)24-13-9-18(10-14-24)21(26)23-19-5-3-2-4-6-19;/h2-6,16-18,22H,7-15H2,1H3,(H,23,26);1H
InChIKeyLSDPMBCBHFSNTE-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
1-(4-phenoxypiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119725118
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119757737
1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119814649
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride (CID 119692632) is N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride is CC(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CCNCC1.Cl.
What is the InChIKey of N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is LSDPMBCBHFSNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-16(17-7-11-22-12-8-17)15-20(25)24-13-9-18(10-14-24)21(26)23-19-5-3-2-4-6-19;/h2-6,16-18,22H,7-15H2,1H3,(H,23,26);1H.
What are the key properties of N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride?
N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119692632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).