2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid

C10H14ClN3O2 — CID 84741549

IUPAC2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(c1[nH]cnc1Cl)N1CCCCC1
InChIInChI=1S/C10H14ClN3O2/c11-9-7(12-6-13-9)8(10(15)16)14-4-2-1-3-5-14/h6,8H,1-5H2,(H,12,13)(H,15,16)
InChIKeySUYVQZFARMDRSY-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.67
Rot. Bonds3

About 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid

2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid (PubChem CID 84741549) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
PubChem CID84741549
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(c1[nH]cnc1Cl)N1CCCCC1
InChIInChI=1S/C10H14ClN3O2/c11-9-7(12-6-13-9)8(10(15)16)14-4-2-1-3-5-14/h6,8H,1-5H2,(H,12,13)(H,15,16)
InChIKeySUYVQZFARMDRSY-UHFFFAOYSA-N
XLogP1.67
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
CID 84744410
2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
CID 84743696
2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84739922
2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid
CID 90259225
(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
CID 93297834
2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
CID 42650356
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid
CID 84743174
2-(azepan-1-yl)-2-(2-bromo-5-chlorophenyl)acetic acid
CID 66157283
2-(2-bromo-5-chlorophenyl)-2-piperidin-1-ylacetic acid
CID 66157085
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid
CID 84742598
2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84742953

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid?
The IUPAC name of 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid (CID 84741549) is 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid is O=C(O)C(c1[nH]cnc1Cl)N1CCCCC1.
What is the InChIKey of 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid?
The InChIKey is SUYVQZFARMDRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-9-7(12-6-13-9)8(10(15)16)14-4-2-1-3-5-14/h6,8H,1-5H2,(H,12,13)(H,15,16).
What are the key properties of 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid?
2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid has a molecular weight of 243.69 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 84741549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).