2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C23H34ClN3O2 — CID 40709587

IUPAC2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(C)(C)C1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1
InChIInChI=1S/C23H34ClN3O2/c1-23(2,3)18-10-8-17(9-11-18)22(29)27-14-12-26(13-15-27)16-21(28)25-20-7-5-4-6-19(20)24/h4-7,17-18H,8-16H2,1-3H3,(H,25,28)
InChIKeyRSSZEWANYGQNJO-UHFFFAOYSA-N
MW420.00 g/mol
LogP4.28
Rot. Bonds4

About 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 40709587) has the molecular formula C23H34ClN3O2 and a molecular weight of 420.00 g/mol. Its IUPAC name is 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID40709587
Molecular FormulaC23H34ClN3O2
Molecular Weight420.00 g/mol
Exact Mass419.23
IUPAC Name2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(C)(C)C1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1
InChIInChI=1S/C23H34ClN3O2/c1-23(2,3)18-10-8-17(9-11-18)22(29)27-14-12-26(13-15-27)16-21(28)25-20-7-5-4-6-19(20)24/h4-7,17-18H,8-16H2,1-3H3,(H,25,28)
InChIKeyRSSZEWANYGQNJO-UHFFFAOYSA-N
XLogP4.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149812
2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9372273
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
N-(2-chlorophenyl)-2-[4-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)piperazin-1-yl]acetamide
CID 75452018
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 40709587) is 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is CC(C)(C)C1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1.
What is the InChIKey of 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is RSSZEWANYGQNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O2/c1-23(2,3)18-10-8-17(9-11-18)22(29)27-14-12-26(13-15-27)16-21(28)25-20-7-5-4-6-19(20)24/h4-7,17-18H,8-16H2,1-3H3,(H,25,28).
What are the key properties of 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 420.00 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 40709587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).