1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid

C15H29N3O2 — CID 79651121

IUPAC1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(N2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C15H29N3O2/c1-12(2)11-17-6-8-18(9-7-17)13-4-5-15(10-13,16-3)14(19)20/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyGLRFMEUCVTUNHO-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.86
Rot. Bonds5

About 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid

1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid (PubChem CID 79651121) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
PubChem CID79651121
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(N2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C15H29N3O2/c1-12(2)11-17-6-8-18(9-7-17)13-4-5-15(10-13,16-3)14(19)20/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyGLRFMEUCVTUNHO-UHFFFAOYSA-N
XLogP0.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79645140
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686
3-(4-tert-butylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651757
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651776
1-[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462429
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 79654844
methyl 1-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79655269
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
3-(3,5-dimethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79650405

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid (CID 79651121) is 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCC(N2CCN(CC(C)C)CC2)C1.
What is the InChIKey of 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The InChIKey is GLRFMEUCVTUNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)11-17-6-8-18(9-7-17)13-4-5-15(10-13,16-3)14(19)20/h12-13,16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid has a molecular weight of 283.42 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).