4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid

C19H23N3O3 — CID 97189611

IUPAC4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid
SMILESCc1ccn(CCC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-14-8-11-22(20-14)12-9-18(23)21-10-2-3-17(13-21)15-4-6-16(7-5-15)19(24)25/h4-8,11,17H,2-3,9-10,12-13H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyVBWYDLNFZCIWKR-KRWDZBQOSA-N
MW341.41 g/mol
LogP2.69
Rot. Bonds5

About 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid

4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid (PubChem CID 97189611) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid
PubChem CID97189611
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid
SMILESCc1ccn(CCC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-14-8-11-22(20-14)12-9-18(23)21-10-2-3-17(13-21)15-4-6-16(7-5-15)19(24)25/h4-8,11,17H,2-3,9-10,12-13H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyVBWYDLNFZCIWKR-KRWDZBQOSA-N
XLogP2.69
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
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1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
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4-[1-[2-(diethylamino)acetyl]piperidin-3-yl]benzoic acid
CID 72876996
3-(3-methylpyrazol-1-yl)-1-[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 99948365
3-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid
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4-[(3R)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
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4-[(3S)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205330
4-[(3R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97210569
4-[1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 119068614
3-(3-methylpyrazol-1-yl)-1-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 110235757

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid (CID 97189611) is 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid is Cc1ccn(CCC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1.
What is the InChIKey of 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid?
The InChIKey is VBWYDLNFZCIWKR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-8-11-22(20-14)12-9-18(23)21-10-2-3-17(13-21)15-4-6-16(7-5-15)19(24)25/h4-8,11,17H,2-3,9-10,12-13H2,1H3,(H,24,25)/t17-/m0/s1.
What are the key properties of 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid?
4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97189611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).