2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide

C15H27N3O2 — CID 115736845

IUPAC2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
SMILESO=C(CC1CCCCCC1)NCC(=O)N1CCNCC1
InChIInChI=1S/C15H27N3O2/c19-14(11-13-5-3-1-2-4-6-13)17-12-15(20)18-9-7-16-8-10-18/h13,16H,1-12H2,(H,17,19)
InChIKeyYFQDDQPTGILMAZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds4

About 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide

2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide (PubChem CID 115736845) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
PubChem CID115736845
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
SMILESO=C(CC1CCCCCC1)NCC(=O)N1CCNCC1
InChIInChI=1S/C15H27N3O2/c19-14(11-13-5-3-1-2-4-6-13)17-12-15(20)18-9-7-16-8-10-18/h13,16H,1-12H2,(H,17,19)
InChIKeyYFQDDQPTGILMAZ-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-2-piperidin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 112701646
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119373641
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034
N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 119260097
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
CID 97315922
tert-butyl N-[2-[4-[[(2-cyclohexylacetyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916630

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide (CID 115736845) is 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide is O=C(CC1CCCCCC1)NCC(=O)N1CCNCC1.
What is the InChIKey of 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The InChIKey is YFQDDQPTGILMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-14(11-13-5-3-1-2-4-6-13)17-12-15(20)18-9-7-16-8-10-18/h13,16H,1-12H2,(H,17,19).
What are the key properties of 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 115736845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).