2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide

C21H31ClN4O2 — CID 9434473

IUPAC2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCC1CCCCC1
InChIInChI=1S/C21H31ClN4O2/c22-18-8-4-5-9-19(18)24-21(28)16-26-12-10-25(11-13-26)15-20(27)23-14-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,23,27)(H,24,28)
InChIKeyHRUBFRNIZAESBJ-UHFFFAOYSA-N
MW406.96 g/mol
LogP2.59
Rot. Bonds7

About 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide

2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 9434473) has the molecular formula C21H31ClN4O2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID9434473
Molecular FormulaC21H31ClN4O2
Molecular Weight406.96 g/mol
Exact Mass406.21
IUPAC Name2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCC1CCCCC1
InChIInChI=1S/C21H31ClN4O2/c22-18-8-4-5-9-19(18)24-21(28)16-26-12-10-25(11-13-26)15-20(27)23-14-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,23,27)(H,24,28)
InChIKeyHRUBFRNIZAESBJ-UHFFFAOYSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 30620317
N-(2-chlorophenyl)-2-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799798
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide (CID 9434473) is 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide is O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCC1CCCCC1.
What is the InChIKey of 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is HRUBFRNIZAESBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4O2/c22-18-8-4-5-9-19(18)24-21(28)16-26-12-10-25(11-13-26)15-20(27)23-14-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,23,27)(H,24,28).
What are the key properties of 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide?
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 406.96 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 9434473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).