2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid

C15H24N4O2 — CID 84743807

IUPAC2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]cnc1C(C(=O)O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H24N4O2/c1-11-13(17-10-16-11)14(15(20)21)19-8-6-18(7-9-19)12-4-2-3-5-12/h10,12,14H,2-9H2,1H3,(H,16,17)(H,20,21)
InChIKeyIAWHNMQMAXUFHK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.40
Rot. Bonds4

About 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid

2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid (PubChem CID 84743807) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
PubChem CID84743807
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]cnc1C(C(=O)O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H24N4O2/c1-11-13(17-10-16-11)14(15(20)21)19-8-6-18(7-9-19)12-4-2-3-5-12/h10,12,14H,2-9H2,1H3,(H,16,17)(H,20,21)
InChIKeyIAWHNMQMAXUFHK-UHFFFAOYSA-N
XLogP1.40
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylic acid dihydrochloride
CID 67945944
5-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 70724961
(4R)-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95891559
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 22575006
5-(2,2,2-trifluoroacetyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 165672139
2-amino-2-(4-methyl-1H-imidazol-5-yl)acetic acid
CID 3662394
Methyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-4-carboxylate
CID 22414717
methyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-4-carboxylate dihydrochloride
CID 67946063
tert-butyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylate
CID 70377975
2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 82408533
ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate dihydrochloride
CID 90409102
2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid;ethane
CID 178096029

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid (CID 84743807) is 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid is Cc1[nH]cnc1C(C(=O)O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The InChIKey is IAWHNMQMAXUFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-13(17-10-16-11)14(15(20)21)19-8-6-18(7-9-19)12-4-2-3-5-12/h10,12,14H,2-9H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid is sourced from PubChem (CID 84743807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).