N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C22H33N3O2 — CID 109147541

IUPACN-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-17-7-5-6-8-20(17)23-21(26)18-9-11-19(12-10-18)22(27)25-15-13-24(4-2)14-16-25/h5-8,18-19H,3-4,9-16H2,1-2H3,(H,23,26)
InChIKeyZTQVHGNATXVWSJ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.16
Rot. Bonds5

About N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147541) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147541
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-17-7-5-6-8-20(17)23-21(26)18-9-11-19(12-10-18)22(27)25-15-13-24(4-2)14-16-25/h5-8,18-19H,3-4,9-16H2,1-2H3,(H,23,26)
InChIKeyZTQVHGNATXVWSJ-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109147545
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 86844281
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247
N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147643
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147541) is N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is CCc1ccccc1NC(=O)C1CCC(C(=O)N2CCN(CC)CC2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is ZTQVHGNATXVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-17-7-5-6-8-20(17)23-21(26)18-9-11-19(12-10-18)22(27)25-15-13-24(4-2)14-16-25/h5-8,18-19H,3-4,9-16H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).