1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C12H22N4O3 — CID 83020742

IUPAC1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCN(NC(=O)NC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C12H22N4O3/c1-15-6-8-16(9-7-15)14-11(19)13-12(10(17)18)4-2-3-5-12/h2-9H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyUYVQOZXHEBXONY-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.15
Rot. Bonds3

About 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 83020742) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID83020742
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCN(NC(=O)NC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C12H22N4O3/c1-15-6-8-16(9-7-15)14-11(19)13-12(10(17)18)4-2-3-5-12/h2-9H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyUYVQOZXHEBXONY-UHFFFAOYSA-N
XLogP-0.15
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylpiperazin-1-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 83017667
1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 83020129
1-hydroxy-3-(4-methylpiperazin-1-yl)urea
CID 23526196
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 11573082
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid
CID 83020661
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
2-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83019681
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020654
2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020744

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 83020742) is 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CN1CCN(NC(=O)NC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is UYVQOZXHEBXONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-15-6-8-16(9-7-15)14-11(19)13-12(10(17)18)4-2-3-5-12/h2-9H2,1H3,(H,17,18)(H2,13,14,19).
What are the key properties of 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83020742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).