1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone

C21H23FN4O — CID 69099976

IUPAC1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone
SMILESO=C(CNc1ccc2[nH]ncc2c1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O/c22-18-3-1-15(2-4-18)11-16-7-9-26(10-8-16)21(27)14-23-19-5-6-20-17(12-19)13-24-25-20/h1-6,12-13,16,23H,7-11,14H2,(H,24,25)
InChIKeyXQLSJTPCSGNVDD-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone (PubChem CID 69099976) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone
PubChem CID69099976
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone
SMILESO=C(CNc1ccc2[nH]ncc2c1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O/c22-18-3-1-15(2-4-18)11-16-7-9-26(10-8-16)21(27)14-23-19-5-6-20-17(12-19)13-24-25-20/h1-6,12-13,16,23H,7-11,14H2,(H,24,25)
InChIKeyXQLSJTPCSGNVDD-UHFFFAOYSA-N
XLogP3.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-3H-1,3-benzothiazol-2-one
CID 69100048
5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one
CID 10293201
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone
CID 69100873
1-[(4S)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-2-(oxan-4-yl)ethanone
CID 125016324
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 59159232
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
CID 133342484
1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-1-(1H-indazol-5-yl)urea
CID 174391941
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone (CID 69099976) is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone is O=C(CNc1ccc2[nH]ncc2c1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone?
The InChIKey is XQLSJTPCSGNVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-18-3-1-15(2-4-18)11-16-7-9-26(10-8-16)21(27)14-23-19-5-6-20-17(12-19)13-24-25-20/h1-6,12-13,16,23H,7-11,14H2,(H,24,25).
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone?
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone has a molecular weight of 366.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone is sourced from PubChem (CID 69099976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).