N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C22H32N4O2 — CID 6236363

IUPACN-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C22H32N4O2/c27-21(24-22(28)23-20-11-5-2-6-12-20)18-26-16-14-25(15-17-26)13-7-10-19-8-3-1-4-9-19/h1,3-4,7-10,20H,2,5-6,11-18H2,(H2,23,24,27,28)/b10-7+
InChIKeyNZDYGPGNUUGRKV-JXMROGBWSA-N
MW384.52 g/mol
LogP2.48
Rot. Bonds6

About N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 6236363) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID6236363
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C22H32N4O2/c27-21(24-22(28)23-20-11-5-2-6-12-20)18-26-16-14-25(15-17-26)13-7-10-19-8-3-1-4-9-19/h1,3-4,7-10,20H,2,5-6,11-18H2,(H2,23,24,27,28)/b10-7+
InChIKeyNZDYGPGNUUGRKV-JXMROGBWSA-N
XLogP2.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-Piperidineacetamide, N-(diphenylmethyl)-
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6-Amino-1-benzyl-5-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
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N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 2088429
3-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
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2-[benzyl(methyl)amino]-N-(cyclohexylcarbamoyl)acetamide
CID 16308816
1-(1-Acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
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6-Amino-1-benzyl-5-(dodecylamino)pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 6236363) is N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is NZDYGPGNUUGRKV-JXMROGBWSA-N. The full InChI is InChI=1S/C22H32N4O2/c27-21(24-22(28)23-20-11-5-2-6-12-20)18-26-16-14-25(15-17-26)13-7-10-19-8-3-1-4-9-19/h1,3-4,7-10,20H,2,5-6,11-18H2,(H2,23,24,27,28)/b10-7+.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6236363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).