3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid

C22H27N3O3 — CID 72844387

IUPAC3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2CCCN(C(=O)c3cn[nH]c3C3CCCCC3)C2)c1
InChIInChI=1S/C22H27N3O3/c26-21(19-13-23-24-20(19)15-6-2-1-3-7-15)25-11-5-10-18(14-25)16-8-4-9-17(12-16)22(27)28/h4,8-9,12-13,15,18H,1-3,5-7,10-11,14H2,(H,23,24)(H,27,28)
InChIKeyGHLNGHNHFRBNLB-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.18
Rot. Bonds4

About 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid

3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid (PubChem CID 72844387) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
PubChem CID72844387
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2CCCN(C(=O)c3cn[nH]c3C3CCCCC3)C2)c1
InChIInChI=1S/C22H27N3O3/c26-21(19-13-23-24-20(19)15-6-2-1-3-7-15)25-11-5-10-18(14-25)16-8-4-9-17(12-16)22(27)28/h4,8-9,12-13,15,18H,1-3,5-7,10-11,14H2,(H,23,24)(H,27,28)
InChIKeyGHLNGHNHFRBNLB-UHFFFAOYSA-N
XLogP4.18
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
3-[(3R)-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]benzoic acid
CID 97200974
3-[(3R)-1-(isoquinoline-5-carbonyl)piperidin-3-yl]benzoic acid
CID 97191115
3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72929646
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469
3-[1-(2-methyl-4-phenylpyrimidine-5-carbonyl)piperidin-3-yl]benzoic acid
CID 72896375
3-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 97205189
3-[1-[2-(ethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 72856458
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
ethyl 4-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45170473

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid (CID 72844387) is 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid is O=C(O)c1cccc(C2CCCN(C(=O)c3cn[nH]c3C3CCCCC3)C2)c1.
What is the InChIKey of 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid?
The InChIKey is GHLNGHNHFRBNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(19-13-23-24-20(19)15-6-2-1-3-7-15)25-11-5-10-18(14-25)16-8-4-9-17(12-16)22(27)28/h4,8-9,12-13,15,18H,1-3,5-7,10-11,14H2,(H,23,24)(H,27,28).
What are the key properties of 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid?
3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid has a molecular weight of 381.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72844387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).