1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H27N3O3 — CID 62777140

IUPAC1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC(C)N1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-3-12(2)17-8-10-18(11-9-17)14(21)16-15(13(19)20)6-4-5-7-15/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyLQGNNEQXBUBWHY-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.51
Rot. Bonds4

About 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 62777140) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID62777140
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC(C)N1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-3-12(2)17-8-10-18(11-9-17)14(21)16-15(13(19)20)6-4-5-7-15/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyLQGNNEQXBUBWHY-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 55117131
1-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61405040
1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81156236
1-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63615527
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 63615862
(2R)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80757592
1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107405645
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
4-butan-2-yl-N-(2-chloropropanoyl)piperazine-1-carboxamide
CID 62778045
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 62777140) is 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CCC(C)N1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LQGNNEQXBUBWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-12(2)17-8-10-18(11-9-17)14(21)16-15(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-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62777140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).