N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride

C20H37ClN4O2 — CID 119727435

IUPACN-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C20H36N4O2.ClH/c1-16(17-7-9-21-10-8-17)15-19(25)23-11-13-24(14-12-23)20(26)22-18-5-3-2-4-6-18;/h16-18,21H,2-15H2,1H3,(H,22,26);1H
InChIKeyYJABWFSDHXYNMA-UHFFFAOYSA-N
MW401.00 g/mol
LogP2.62
Rot. Bonds4

About N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride

N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 119727435) has the molecular formula C20H37ClN4O2 and a molecular weight of 401.00 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
PubChem CID119727435
Molecular FormulaC20H37ClN4O2
Molecular Weight401.00 g/mol
Exact Mass400.26
IUPAC NameN-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C20H36N4O2.ClH/c1-16(17-7-9-21-10-8-17)15-19(25)23-11-13-24(14-12-23)20(26)22-18-5-3-2-4-6-18;/h16-18,21H,2-15H2,1H3,(H,22,26);1H
InChIKeyYJABWFSDHXYNMA-UHFFFAOYSA-N
XLogP2.62
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.00
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119837290
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 119876029
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119859713
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide
CID 110352147
1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119794906

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride (CID 119727435) is N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride is CC(CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)C1CCNCC1.Cl.
What is the InChIKey of N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is YJABWFSDHXYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.ClH/c1-16(17-7-9-21-10-8-17)15-19(25)23-11-13-24(14-12-23)20(26)22-18-5-3-2-4-6-18;/h16-18,21H,2-15H2,1H3,(H,22,26);1H.
What are the key properties of N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride?
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 401.00 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119727435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).