4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 114511446

IUPAC4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2CCN(CCO)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-11-9-12(13(10-11)15(20)21)14(19)17-5-3-16(4-6-17)7-8-18/h11-13,18H,2-10H2,1H3,(H,20,21)
InChIKeyODXIKXQNBPINMY-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.26
Rot. Bonds5

About 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 114511446) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID114511446
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2CCN(CCO)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-11-9-12(13(10-11)15(20)21)14(19)17-5-3-16(4-6-17)7-8-18/h11-13,18H,2-10H2,1H3,(H,20,21)
InChIKeyODXIKXQNBPINMY-UHFFFAOYSA-N
XLogP0.26
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511249
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 43416228
4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114511814
2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
(1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 30074322
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
4-ethyl-2-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511445
trans-(1R,3R)-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 51674121
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
cis-(1S,2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377074

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 114511446) is 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N2CCN(CCO)CC2)C1.
What is the InChIKey of 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is ODXIKXQNBPINMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-11-9-12(13(10-11)15(20)21)14(19)17-5-3-16(4-6-17)7-8-18/h11-13,18H,2-10H2,1H3,(H,20,21).
What are the key properties of 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).