1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H21N3O4 — CID 56914941

IUPAC1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCc3ccco3)CC2)c1
InChIInChI=1S/C17H21N3O4/c1-13-11-18-20(12-13)17(16(22)23)6-8-19(9-7-17)15(21)5-4-14-3-2-10-24-14/h2-3,10-12H,4-9H2,1H3,(H,22,23)
InChIKeyKAVQTPOZPDBTDQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.82
Rot. Bonds5

About 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56914941) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56914941
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCc3ccco3)CC2)c1
InChIInChI=1S/C17H21N3O4/c1-13-11-18-20(12-13)17(16(22)23)6-8-19(9-7-17)15(21)5-4-14-3-2-10-24-14/h2-3,10-12H,4-9H2,1H3,(H,22,23)
InChIKeyKAVQTPOZPDBTDQ-UHFFFAOYSA-N
XLogP1.82
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56911887
1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56886349
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 110308243
3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110311024
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 154738961
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56916565
3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592
1-[(8-methoxy-2H-chromen-3-yl)methyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70705760
1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 75408323
3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
CID 129002349
4-(4-methylpyrazol-1-yl)-1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 122131210

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56914941) is 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)CCc3ccco3)CC2)c1.
What is the InChIKey of 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is KAVQTPOZPDBTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-13-11-18-20(12-13)17(16(22)23)6-8-19(9-7-17)15(21)5-4-14-3-2-10-24-14/h2-3,10-12H,4-9H2,1H3,(H,22,23).
What are the key properties of 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56914941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).