(2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone

C20H22FN3O2 — CID 16672636

IUPAC(2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccccc1F)C1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C20H22FN3O2/c21-16-9-3-1-7-14(16)19(25)13-6-5-11-24(12-13)20(26)18-15-8-2-4-10-17(15)22-23-18/h1,3,7,9,13H,2,4-6,8,10-12H2,(H,22,23)
InChIKeyZWGFIOOISYERRQ-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.16
Rot. Bonds3

About (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone

(2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 16672636) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
PubChem CID16672636
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccccc1F)C1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C20H22FN3O2/c21-16-9-3-1-7-14(16)19(25)13-6-5-11-24(12-13)20(26)18-15-8-2-4-10-17(15)22-23-18/h1,3,7,9,13H,2,4-6,8,10-12H2,(H,22,23)
InChIKeyZWGFIOOISYERRQ-UHFFFAOYSA-N
XLogP3.16
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
CID 51492761
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
(4-methylpiperidin-1-yl)-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 84583410
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028
3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72929646
1-[3-(naphthalene-1-carbonyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 45187560
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 167785364

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone (CID 16672636) is (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone is O=C(c1ccccc1F)C1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1.
What is the InChIKey of (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is ZWGFIOOISYERRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-9-3-1-7-14(16)19(25)13-6-5-11-24(12-13)20(26)18-15-8-2-4-10-17(15)22-23-18/h1,3,7,9,13H,2,4-6,8,10-12H2,(H,22,23).
What are the key properties of (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone?
(2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 355.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 16672636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).