1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid

C14H27N3O2 — CID 79650086

IUPAC1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-3-6-16-7-9-17(10-8-16)12-4-5-14(11-12,15-2)13(18)19/h12,15H,3-11H2,1-2H3,(H,18,19)
InChIKeyYZBYUPQAIAZBHZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.61
Rot. Bonds5

About 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid

1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79650086) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79650086
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-3-6-16-7-9-17(10-8-16)12-4-5-14(11-12,15-2)13(18)19/h12,15H,3-11H2,1-2H3,(H,18,19)
InChIKeyYZBYUPQAIAZBHZ-UHFFFAOYSA-N
XLogP0.61
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.61
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
1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79645140
ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79645136
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79651121
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651776
3-(4-tert-butylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651757
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 79654844
1-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79636971
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651259

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 79650086) is 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid is CCCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1.
What is the InChIKey of 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is YZBYUPQAIAZBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-6-16-7-9-17(10-8-16)12-4-5-14(11-12,15-2)13(18)19/h12,15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 269.39 g/mol, XLogP of 0.61, 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-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79650086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).