N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

C22H33N3O3 — CID 24791629

IUPACN-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C22H33N3O3/c1-3-28-19-11-9-17(10-12-19)16-25-14-13-23-22(27)20(25)15-21(26)24(2)18-7-5-4-6-8-18/h9-12,18,20H,3-8,13-16H2,1-2H3,(H,23,27)
InChIKeyPJWDILJELKDKID-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.57
Rot. Bonds7

About N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 24791629) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID24791629
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C22H33N3O3/c1-3-28-19-11-9-17(10-12-19)16-25-14-13-23-22(27)20(25)15-21(26)24(2)18-7-5-4-6-8-18/h9-12,18,20H,3-8,13-16H2,1-2H3,(H,23,27)
InChIKeyPJWDILJELKDKID-UHFFFAOYSA-N
XLogP2.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 952254
N-cyclopropyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56884569
N-cyclopropyl-2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95708991
N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45244517
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 56900647
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 45251521
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 45185305
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 26330020
N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide
CID 42287624
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45233956
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42095722
N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 26328550

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (CID 24791629) is N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is CCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is PJWDILJELKDKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-28-19-11-9-17(10-12-19)16-25-14-13-23-22(27)20(25)15-21(26)24(2)18-7-5-4-6-8-18/h9-12,18,20H,3-8,13-16H2,1-2H3,(H,23,27).
What are the key properties of N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 387.52 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 24791629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).