2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide

C20H31N3O — CID 31127901

IUPAC2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C20H31N3O/c24-20(21-15-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)16-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H,21,24)
InChIKeyJJOCAAKIHRFLAJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide (PubChem CID 31127901) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
PubChem CID31127901
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C20H31N3O/c24-20(21-15-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)16-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H,21,24)
InChIKeyJJOCAAKIHRFLAJ-UHFFFAOYSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119555709
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide (CID 31127901) is 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCCC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The InChIKey is JJOCAAKIHRFLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c24-20(21-15-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)16-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 31127901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).