1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C14H25N3O2 — CID 79641627

IUPAC1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C14H25N3O2/c15-14(13(18)19)5-1-2-12(10-14)17-8-6-16(7-9-17)11-3-4-11/h11-12H,1-10,15H2,(H,18,19)
InChIKeyAWERHRPHUDWEBQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.49
Rot. Bonds3

About 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid

1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79641627) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79641627
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C14H25N3O2/c15-14(13(18)19)5-1-2-12(10-14)17-8-6-16(7-9-17)11-3-4-11/h11-12H,1-10,15H2,(H,18,19)
InChIKeyAWERHRPHUDWEBQ-UHFFFAOYSA-N
XLogP0.49
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
1-amino-3-(4,4-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79642103
1-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexane-1-carboxylic acid
CID 79642318
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79637066
1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79642243
1-amino-3-(4-propan-2-ylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642332
1-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxylic acid
CID 79641590
1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
CID 79650981
1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid
CID 79642312
1-amino-3-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 79641627) is 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid is NC1(C(=O)O)CCCC(N2CCN(C3CC3)CC2)C1.
What is the InChIKey of 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is AWERHRPHUDWEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-14(13(18)19)5-1-2-12(10-14)17-8-6-16(7-9-17)11-3-4-11/h11-12H,1-10,15H2,(H,18,19).
What are the key properties of 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79641627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).