2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid

C15H27N3O3 — CID 61468395

IUPAC2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCCC1CCCCC1NC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-2-12-5-3-4-6-13(12)16-15(21)18-9-7-17(8-10-18)11-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyHESZVPCNOROUJK-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 61468395) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID61468395
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCCC1CCCCC1NC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-2-12-5-3-4-6-13(12)16-15(21)18-9-7-17(8-10-18)11-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyHESZVPCNOROUJK-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-ethylcyclohexyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433704
2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79870364
2-[4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79350169
1-[(2-ethylcyclohexyl)carbamoyl]azepane-2-carboxylic acid
CID 64562536
2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79878279
2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 113467372
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
2-[4-[(3,5-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64733134
2-[4-[(3-methylcyclopentyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 114548966
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
2-[4-(2-cyclopentylethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61205575

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid (CID 61468395) is 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid is CCC1CCCCC1NC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is HESZVPCNOROUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-12-5-3-4-6-13(12)16-15(21)18-9-7-17(8-10-18)11-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 61468395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).