3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid

C14H27N3O2 — CID 79651776

IUPAC3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1C
InChIInChI=1S/C14H27N3O2/c1-4-16-7-8-17(10-11(16)2)12-5-6-14(9-12,15-3)13(18)19/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeySUDDSBBQRTUBNJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.61
Rot. Bonds4

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

3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79651776) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79651776
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1C
InChIInChI=1S/C14H27N3O2/c1-4-16-7-8-17(10-11(16)2)12-5-6-14(9-12,15-3)13(18)19/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeySUDDSBBQRTUBNJ-UHFFFAOYSA-N
XLogP0.61
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

1-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79651425
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 79654844
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
3-(3,5-dimethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79650405
1-amino-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650855
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79651121
1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651259
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
3-(4-tert-butylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651757
1-(ethylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 102966325

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79651776) is 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid is CCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1C.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SUDDSBBQRTUBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-16-7-8-17(10-11(16)2)12-5-6-14(9-12,15-3)13(18)19/h11-12,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid?
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 269.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).