2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid

C16H25N3O2 — CID 64785777

IUPAC2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C16H25N3O2/c20-16(21)10-13-4-3-8-18(11-13)12-14-7-9-19(17-14)15-5-1-2-6-15/h7,9,13,15H,1-6,8,10-12H2,(H,20,21)
InChIKeyOTUZFJDYTIJHOJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds5

About 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid (PubChem CID 64785777) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
PubChem CID64785777
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C16H25N3O2/c20-16(21)10-13-4-3-8-18(11-13)12-14-7-9-19(17-14)15-5-1-2-6-15/h7,9,13,15H,1-6,8,10-12H2,(H,20,21)
InChIKeyOTUZFJDYTIJHOJ-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
CID 64801483
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid (CID 64785777) is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is OTUZFJDYTIJHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-16(21)10-13-4-3-8-18(11-13)12-14-7-9-19(17-14)15-5-1-2-6-15/h7,9,13,15H,1-6,8,10-12H2,(H,20,21).
What are the key properties of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid?
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 64785777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).