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

C16H31N3O2 — CID 79645140

IUPAC1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCN1CCN(C2CCC(NC(C)C)(C(=O)O)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-4-7-18-8-10-19(11-9-18)14-5-6-16(12-14,15(20)21)17-13(2)3/h13-14,17H,4-12H2,1-3H3,(H,20,21)
InChIKeyCYZXMZIJZUFKCN-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.39
Rot. Bonds6

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

1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79645140) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79645140
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCN1CCN(C2CCC(NC(C)C)(C(=O)O)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-4-7-18-8-10-19(11-9-18)14-5-6-16(12-14,15(20)21)17-13(2)3/h13-14,17H,4-12H2,1-3H3,(H,20,21)
InChIKeyCYZXMZIJZUFKCN-UHFFFAOYSA-N
XLogP1.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686
3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651186
4-(propan-2-ylamino)-1-propylpiperidine-4-carboxylic acid
CID 43754204
ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79645136
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79651121
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-carboxylic acid
CID 79651754
3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651689
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 79645140) is 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid is CCCN1CCN(C2CCC(NC(C)C)(C(=O)O)C2)CC1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is CYZXMZIJZUFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-7-18-8-10-19(11-9-18)14-5-6-16(12-14,15(20)21)17-13(2)3/h13-14,17H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 297.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79645140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).