N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride

C24H40Cl2N4O — CID 134118089

IUPACN-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCCC1)N1CCCCC1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H38N4O.2ClH/c29-24(25-21-9-3-1-4-10-21)28-15-8-7-13-23(28)14-16-26-17-19-27(20-18-26)22-11-5-2-6-12-22;;/h2,5-6,11-12,21,23H,1,3-4,7-10,13-20H2,(H,25,29);2*1H
InChIKeyOXEZJOWJCFUWRI-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.94
Rot. Bonds5

About N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride

N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride (PubChem CID 134118089) has the molecular formula C24H40Cl2N4O and a molecular weight of 471.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
PubChem CID134118089
Molecular FormulaC24H40Cl2N4O
Molecular Weight471.52 g/mol
Exact Mass470.26
IUPAC NameN-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCCC1)N1CCCCC1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H38N4O.2ClH/c29-24(25-21-9-3-1-4-10-21)28-15-8-7-13-23(28)14-16-26-17-19-27(20-18-26)22-11-5-2-6-12-22;;/h2,5-6,11-12,21,23H,1,3-4,7-10,13-20H2,(H,25,29);2*1H
InChIKeyOXEZJOWJCFUWRI-UHFFFAOYSA-N
XLogP4.94
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
CID 134118087
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268287
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 127591342
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513267
2-[2-(4-methylpiperazin-1-yl)ethyl]-N-(1-phenylcyclopropyl)piperidine-1-carboxamide
CID 121496338

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride?
The IUPAC name of N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride (CID 134118089) is N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCCCC1)N1CCCCC1CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride?
The InChIKey is OXEZJOWJCFUWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O.2ClH/c29-24(25-21-9-3-1-4-10-21)28-15-8-7-13-23(28)14-16-26-17-19-27(20-18-26)22-11-5-2-6-12-22;;/h2,5-6,11-12,21,23H,1,3-4,7-10,13-20H2,(H,25,29);2*1H.
What are the key properties of N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride?
N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride has a molecular weight of 471.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 134118089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).