N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide

C17H29N3O3 — CID 113166274

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
SMILESCC(=O)N1CCN(C(=O)CN(C(C)=O)C2CCCCCC2)CC1
InChIInChI=1S/C17H29N3O3/c1-14(21)18-9-11-19(12-10-18)17(23)13-20(15(2)22)16-7-5-3-4-6-8-16/h16H,3-13H2,1-2H3
InChIKeyLKXMAZUWLQETID-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.25
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide (PubChem CID 113166274) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
PubChem CID113166274
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
SMILESCC(=O)N1CCN(C(=O)CN(C(C)=O)C2CCCCCC2)CC1
InChIInChI=1S/C17H29N3O3/c1-14(21)18-9-11-19(12-10-18)17(23)13-20(15(2)22)16-7-5-3-4-6-8-16/h16H,3-13H2,1-2H3
InChIKeyLKXMAZUWLQETID-UHFFFAOYSA-N
XLogP1.25
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethoxyoctahydro-1H-cyclohepta[b]pyrazine-2,3-dione
CID 2851590
1-Acetyl-4-cycloheptylpiperazine
CID 3848623
3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one
CID 421129
2-[Cyclohexyl(methyl)amino]-1-piperidin-1-ylethanone
CID 45841231
N,N-dimethyl-2-(2-methylpiperidin-1-yl)acetamide
CID 47006696
1-(2,6-Dimethylpiperidin-1-yl)-2-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 53548501
2-[[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56810076
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 95337344
1,4-Didecylpiperazine-2,3-dione
CID 10069235
N-cyclododecyl-N-methyl-2-(piperidin-1-yl)acetamide
CID 146020950
Dioctyl diketopiperazine
CID 162393250
3-Methyloctahydropyrido[1,2-d][1,4]diazepin-5(2h)-one
CID 279670

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide (CID 113166274) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide is CC(=O)N1CCN(C(=O)CN(C(C)=O)C2CCCCCC2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide?
The InChIKey is LKXMAZUWLQETID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-14(21)18-9-11-19(12-10-18)17(23)13-20(15(2)22)16-7-5-3-4-6-8-16/h16H,3-13H2,1-2H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide has a molecular weight of 323.44 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide is sourced from PubChem (CID 113166274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).