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

C23H35N3O2 — CID 31149812

IUPAC2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESCC(C)(C)C1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-23(2,3)19-11-9-18(10-12-19)22(28)26-15-13-25(14-16-26)17-21(27)24-20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27)
InChIKeyYPJFWVKFJQTTHT-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.62
Rot. Bonds4

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

2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31149812) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31149812
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESCC(C)(C)C1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-23(2,3)19-11-9-18(10-12-19)22(28)26-15-13-25(14-16-26)17-21(27)24-20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27)
InChIKeyYPJFWVKFJQTTHT-UHFFFAOYSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 40709587
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride
CID 119840839
2,2,2-trifluoroethyl 4-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 32695486
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[4-(4-bromophenyl)sulfanylphenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 17426326
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
CID 51333103
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-phenylacetamide
CID 120797578
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide (CID 31149812) is 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide is CC(C)(C)C1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is YPJFWVKFJQTTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-23(2,3)19-11-9-18(10-12-19)22(28)26-15-13-25(14-16-26)17-21(27)24-20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 385.55 g/mol, XLogP of 3.62, 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-phenylacetamide is sourced from PubChem (CID 31149812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).