N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide

C20H31N3O2 — CID 86943869

IUPACN-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2cccc(OC3CCCCC3)c2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-22-11-13-23(14-12-22)20(24)21-16-17-7-6-10-19(15-17)25-18-8-4-3-5-9-18/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3,(H,21,24)
InChIKeyJGNLYVXGFRMAGD-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.25
Rot. Bonds5

About N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide

N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 86943869) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
PubChem CID86943869
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2cccc(OC3CCCCC3)c2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-22-11-13-23(14-12-22)20(24)21-16-17-7-6-10-19(15-17)25-18-8-4-3-5-9-18/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3,(H,21,24)
InChIKeyJGNLYVXGFRMAGD-UHFFFAOYSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide
CID 86943396
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
CID 86943146
1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 86943213
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
(3-ethylphenoxy)cyclooctane
CID 91220327
1-[(3-cyclohexyloxyphenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71990119
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide (CID 86943869) is N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NCc2cccc(OC3CCCCC3)c2)CC1.
What is the InChIKey of N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is JGNLYVXGFRMAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-22-11-13-23(14-12-22)20(24)21-16-17-7-6-10-19(15-17)25-18-8-4-3-5-9-18/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3,(H,21,24).
What are the key properties of N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide?
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 86943869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).