N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide

C23H29N3O2 — CID 113080037

IUPACN-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(24-19-9-3-1-4-10-19)26-17-15-25(16-18-26)21-13-7-8-14-22(21)28-20-11-5-2-6-12-20/h2,5-8,11-14,19H,1,3-4,9-10,15-18H2,(H,24,27)
InChIKeyYPLSARKHZKWYMX-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.64
Rot. Bonds4

About N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide

N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 113080037) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID113080037
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(24-19-9-3-1-4-10-19)26-17-15-25(16-18-26)21-13-7-8-14-22(21)28-20-11-5-2-6-12-20/h2,5-8,11-14,19H,1,3-4,9-10,15-18H2,(H,24,27)
InChIKeyYPLSARKHZKWYMX-UHFFFAOYSA-N
XLogP4.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113076124
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 113110606
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
(1S,3S,4S)-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 98136415

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide (CID 113080037) is N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is YPLSARKHZKWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(24-19-9-3-1-4-10-19)26-17-15-25(16-18-26)21-13-7-8-14-22(21)28-20-11-5-2-6-12-20/h2,5-8,11-14,19H,1,3-4,9-10,15-18H2,(H,24,27).
What are the key properties of N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113080037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).