N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide

C17H25N3O2 — CID 4169539

IUPACN-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H25N3O2/c21-16-8-6-15(7-9-16)19-10-12-20(13-11-19)17(22)18-14-4-2-1-3-5-14/h6-9,14,21H,1-5,10-13H2,(H,18,22)
InChIKeyQCQWVSOSQGNNGD-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.56
Rot. Bonds2

About N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide

N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 4169539) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID4169539
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H25N3O2/c21-16-8-6-15(7-9-16)19-10-12-20(13-11-19)17(22)18-14-4-2-1-3-5-14/h6-9,14,21H,1-5,10-13H2,(H,18,22)
InChIKeyQCQWVSOSQGNNGD-UHFFFAOYSA-N
XLogP2.56
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
N-cyclohexyl-4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carboxamide
CID 110749250
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide
CID 122568385
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276816

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide (CID 4169539) is N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is QCQWVSOSQGNNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-16-8-6-15(7-9-16)19-10-12-20(13-11-19)17(22)18-14-4-2-1-3-5-14/h6-9,14,21H,1-5,10-13H2,(H,18,22).
What are the key properties of N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4169539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).