3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

C16H29N3O2 — CID 79647686

IUPAC3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)17-16(15(20)21)6-5-14(11-16)19-9-7-18(8-10-19)13-3-4-13/h12-14,17H,3-11H2,1-2H3,(H,20,21)
InChIKeyOOFGGLNIHAIVHO-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.14
Rot. Bonds5

About 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79647686) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79647686
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)17-16(15(20)21)6-5-14(11-16)19-9-7-18(8-10-19)13-3-4-13/h12-14,17H,3-11H2,1-2H3,(H,20,21)
InChIKeyOOFGGLNIHAIVHO-UHFFFAOYSA-N
XLogP1.14
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79645140
3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651186
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 115561603
3-(2,6-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79649630
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651689
1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79651121
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560
3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651468
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79647686) is 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCC(N2CCN(C3CC3)CC2)C1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is OOFGGLNIHAIVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)17-16(15(20)21)6-5-14(11-16)19-9-7-18(8-10-19)13-3-4-13/h12-14,17H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 295.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79647686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).