2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid

C14H25N3O4 — CID 79463898

IUPAC2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H25N3O4/c18-13(19)11-21-10-5-15-14(20)17-8-6-16(7-9-17)12-3-1-2-4-12/h12H,1-11H2,(H,15,20)(H,18,19)
InChIKeyNUKXJETUYFPKKH-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.36
Rot. Bonds6

About 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid

2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79463898) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
PubChem CID79463898
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H25N3O4/c18-13(19)11-21-10-5-15-14(20)17-8-6-16(7-9-17)12-3-1-2-4-12/h12H,1-11H2,(H,15,20)(H,18,19)
InChIKeyNUKXJETUYFPKKH-UHFFFAOYSA-N
XLogP0.36
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79464404
2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464466
2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79457260
2-[2-[(4,4-dimethylazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79463859
2-[2-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]ethoxy]acetic acid
CID 107224020
2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965
2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464461
2-[2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)ethoxy]acetic acid
CID 79463861
2-[2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)ethoxy]acetic acid
CID 82750342
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
2-[2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
CID 114799147
N-(2-aminoethyl)-4-cyclopropylpiperazine-1-carboxamide
CID 82508516

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid (CID 79463898) is 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is NUKXJETUYFPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-13(19)11-21-10-5-15-14(20)17-8-6-16(7-9-17)12-3-1-2-4-12/h12H,1-11H2,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79463898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).