4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide

C21H31N3O3 — CID 109147563

IUPAC4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)Nc3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-3-23-11-13-24(14-12-23)21(26)17-9-7-16(8-10-17)20(25)22-18-5-4-6-19(15-18)27-2/h4-6,15-17H,3,7-14H2,1-2H3,(H,22,25)
InChIKeyWZXKDWDQIFZUCB-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.60
Rot. Bonds5

About 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide

4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 109147563) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID109147563
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)Nc3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-3-23-11-13-24(14-12-23)21(26)17-9-7-16(8-10-17)20(25)22-18-5-4-6-19(15-18)27-2/h4-6,15-17H,3,7-14H2,1-2H3,(H,22,25)
InChIKeyWZXKDWDQIFZUCB-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
CID 109053712
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 86865510
4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151046
2-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 17488278

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide (CID 109147563) is 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide is CCN1CCN(C(=O)C2CCC(C(=O)Nc3cccc(OC)c3)CC2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is WZXKDWDQIFZUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-23-11-13-24(14-12-23)21(26)17-9-7-16(8-10-17)20(25)22-18-5-4-6-19(15-18)27-2/h4-6,15-17H,3,7-14H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).