4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

C22H33N3O2 — CID 113104743

IUPAC4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C22H33N3O2/c1-18(2)27-21-11-7-6-10-20(21)23-22(26)25-16-14-24(15-17-25)13-12-19-8-4-3-5-9-19/h6-8,10-11,18H,3-5,9,12-17H2,1-2H3,(H,23,26)
InChIKeyXOZRBRDTTXARTE-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.51
Rot. Bonds6

About 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113104743) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113104743
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C22H33N3O2/c1-18(2)27-21-11-7-6-10-20(21)23-22(26)25-16-14-24(15-17-25)13-12-19-8-4-3-5-9-19/h6-8,10-11,18H,3-5,9,12-17H2,1-2H3,(H,23,26)
InChIKeyXOZRBRDTTXARTE-UHFFFAOYSA-N
XLogP4.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110129
4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108978
4-[2-(cyclohexen-1-yl)ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113104746
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108984196
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104742
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104853
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109166704
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109227594
4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113918
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113104743) is 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccccc1NC(=O)N1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is XOZRBRDTTXARTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-18(2)27-21-11-7-6-10-20(21)23-22(26)25-16-14-24(15-17-25)13-12-19-8-4-3-5-9-19/h6-8,10-11,18H,3-5,9,12-17H2,1-2H3,(H,23,26).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).