N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide

C19H26N4O2 — CID 167642655

IUPACN-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
SMILESC=C1Nc2ccc(N3CCN(C(=O)NC4CCCCC4)CC3)cc2O1
InChIInChI=1S/C19H26N4O2/c1-14-20-17-8-7-16(13-18(17)25-14)22-9-11-23(12-10-22)19(24)21-15-5-3-2-4-6-15/h7-8,13,15,20H,1-6,9-12H2,(H,21,24)
InChIKeyDDNDDHJDWPLUBQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.13
Rot. Bonds2

About N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide

N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide (PubChem CID 167642655) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
PubChem CID167642655
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
SMILESC=C1Nc2ccc(N3CCN(C(=O)NC4CCCCC4)CC3)cc2O1
InChIInChI=1S/C19H26N4O2/c1-14-20-17-8-7-16(13-18(17)25-14)22-9-11-23(12-10-22)19(24)21-15-5-3-2-4-6-15/h7-8,13,15,20H,1-6,9-12H2,(H,21,24)
InChIKeyDDNDDHJDWPLUBQ-UHFFFAOYSA-N
XLogP3.13
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 167642656
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
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-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110640760
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide (CID 167642655) is N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide is C=C1Nc2ccc(N3CCN(C(=O)NC4CCCCC4)CC3)cc2O1.
What is the InChIKey of N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide?
The InChIKey is DDNDDHJDWPLUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-20-17-8-7-16(13-18(17)25-14)22-9-11-23(12-10-22)19(24)21-15-5-3-2-4-6-15/h7-8,13,15,20H,1-6,9-12H2,(H,21,24).
What are the key properties of N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 167642655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).