N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide

C20H27N3O2 — CID 167642656

IUPACN-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide
SMILESC=C1Cc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)ccc2O1
InChIInChI=1S/C20H27N3O2/c1-15-13-16-14-18(7-8-19(16)25-15)22-9-11-23(12-10-22)20(24)21-17-5-3-2-4-6-17/h7-8,14,17H,1-6,9-13H2,(H,21,24)
InChIKeyCLZTUEQTGMMTAW-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.30
Rot. Bonds2

About N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide

N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide (PubChem CID 167642656) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide
PubChem CID167642656
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide
SMILESC=C1Cc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)ccc2O1
InChIInChI=1S/C20H27N3O2/c1-15-13-16-14-18(7-8-19(16)25-15)22-9-11-23(12-10-22)20(24)21-17-5-3-2-4-6-17/h7-8,14,17H,1-6,9-13H2,(H,21,24)
InChIKeyCLZTUEQTGMMTAW-UHFFFAOYSA-N
XLogP3.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
CID 167642655
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110640760
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-cyclohexyl-4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carboxamide
CID 110749250
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
methyl 3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]benzoate
CID 113110616
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide (CID 167642656) is N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide is C=C1Cc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)ccc2O1.
What is the InChIKey of N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide?
The InChIKey is CLZTUEQTGMMTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-13-16-14-18(7-8-19(16)25-15)22-9-11-23(12-10-22)20(24)21-17-5-3-2-4-6-17/h7-8,14,17H,1-6,9-13H2,(H,21,24).
What are the key properties of N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 167642656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).