N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C20H28ClN3O2 — CID 109147556

IUPACN-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C20H28ClN3O2/c1-2-23-11-13-24(14-12-23)20(26)16-5-3-15(4-6-16)19(25)22-18-9-7-17(21)8-10-18/h7-10,15-16H,2-6,11-14H2,1H3,(H,22,25)
InChIKeyZWJDBRUQUNJQRT-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.25
Rot. Bonds4

About N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147556) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147556
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C20H28ClN3O2/c1-2-23-11-13-24(14-12-23)20(26)16-5-3-15(4-6-16)19(25)22-18-9-7-17(21)8-10-18/h7-10,15-16H,2-6,11-14H2,1H3,(H,22,25)
InChIKeyZWJDBRUQUNJQRT-UHFFFAOYSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109147545
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960941
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147556) is N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is CCN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is ZWJDBRUQUNJQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-2-23-11-13-24(14-12-23)20(26)16-5-3-15(4-6-16)19(25)22-18-9-7-17(21)8-10-18/h7-10,15-16H,2-6,11-14H2,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).