1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid

C19H23N3O3 — CID 129469236

IUPAC1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCC[C@H](C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-2-17(14-6-4-3-5-7-14)18(23)21-10-8-16(9-11-21)22-13-15(12-20-22)19(24)25/h3-7,12-13,16-17H,2,8-11H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyCWJFUMBWCRNCIC-KRWDZBQOSA-N
MW341.41 g/mol
LogP2.94
Rot. Bonds5

About 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid

1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 129469236) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID129469236
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCC[C@H](C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-2-17(14-6-4-3-5-7-14)18(23)21-10-8-16(9-11-21)22-13-15(12-20-22)19(24)25/h3-7,12-13,16-17H,2,8-11H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyCWJFUMBWCRNCIC-KRWDZBQOSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid
CID 129052797
3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 124850656
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16672276
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-(4-cyclopropylidenepiperidin-1-yl)-2-phenylbutan-1-one
CID 121186844
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
(2S)-1-(4-methylsulfonylpiperazin-1-yl)-2-phenylbutan-1-one
CID 1246525

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid (CID 129469236) is 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid is CC[C@H](C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1)c1ccccc1.
What is the InChIKey of 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is CWJFUMBWCRNCIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-17(14-6-4-3-5-7-14)18(23)21-10-8-16(9-11-21)22-13-15(12-20-22)19(24)25/h3-7,12-13,16-17H,2,8-11H2,1H3,(H,24,25)/t17-/m0/s1.
What are the key properties of 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 129469236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).