1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid

C20H22N4O3 — CID 97252996

IUPAC1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCn1cc(CC(=O)N2CCC[C@@H](n3cc(C(=O)O)cn3)C2)c2ccccc21
InChIInChI=1S/C20H22N4O3/c1-22-11-14(17-6-2-3-7-18(17)22)9-19(25)23-8-4-5-16(13-23)24-12-15(10-21-24)20(26)27/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H,26,27)/t16-/m1/s1
InChIKeyOCJGYYLXWLYFGQ-MRXNPFEDSA-N
MW366.42 g/mol
LogP2.48
Rot. Bonds4

About 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid

1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid (PubChem CID 97252996) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
PubChem CID97252996
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCn1cc(CC(=O)N2CCC[C@@H](n3cc(C(=O)O)cn3)C2)c2ccccc21
InChIInChI=1S/C20H22N4O3/c1-22-11-14(17-6-2-3-7-18(17)22)9-19(25)23-8-4-5-16(13-23)24-12-15(10-21-24)20(26)27/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H,26,27)/t16-/m1/s1
InChIKeyOCJGYYLXWLYFGQ-MRXNPFEDSA-N
XLogP2.48
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124697845
1-[(3R)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252988
1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945646
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 131453126
1-[(3R)-1-[3-(5-methylfuran-2-yl)propanoyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252992
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122267952
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122260188

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid (CID 97252996) is 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid is Cn1cc(CC(=O)N2CCC[C@@H](n3cc(C(=O)O)cn3)C2)c2ccccc21.
What is the InChIKey of 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid?
The InChIKey is OCJGYYLXWLYFGQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-22-11-14(17-6-2-3-7-18(17)22)9-19(25)23-8-4-5-16(13-23)24-12-15(10-21-24)20(26)27/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H,26,27)/t16-/m1/s1.
What are the key properties of 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid?
1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 97252996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).