1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C15H27N3O3 — CID 115434336

IUPAC1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCN1CCN(C(=O)NCC2(C(=O)O)CCCC2)CC1C
InChIInChI=1S/C15H27N3O3/c1-3-17-8-9-18(10-12(17)2)14(21)16-11-15(13(19)20)6-4-5-7-15/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyQLWDFIZHRZNIRN-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds4

About 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434336) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434336
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCN1CCN(C(=O)NCC2(C(=O)O)CCCC2)CC1C
InChIInChI=1S/C15H27N3O3/c1-3-17-8-9-18(10-12(17)2)14(21)16-11-15(13(19)20)6-4-5-7-15/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyQLWDFIZHRZNIRN-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

1-[[(3,4-dimethylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434335
1-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63615527
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311291
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002052
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
(2S)-4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839962
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540967
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115434336) is 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is CCN1CCN(C(=O)NCC2(C(=O)O)CCCC2)CC1C.
What is the InChIKey of 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is QLWDFIZHRZNIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-17-8-9-18(10-12(17)2)14(21)16-11-15(13(19)20)6-4-5-7-15/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic 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 1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).