2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone

C23H29FN4O2 — CID 110252787

IUPAC2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1[nH]ncc1C(=O)N1CCC(C2CCCCN2C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C23H29FN4O2/c1-16-19(15-25-26-16)23(30)27-12-9-17(10-13-27)21-8-4-5-11-28(21)22(29)14-18-6-2-3-7-20(18)24/h2-3,6-7,15,17,21H,4-5,8-14H2,1H3,(H,25,26)
InChIKeyIONMUYNYESOFCJ-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.33
Rot. Bonds4

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

2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110252787) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
PubChem CID110252787
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1[nH]ncc1C(=O)N1CCC(C2CCCCN2C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C23H29FN4O2/c1-16-19(15-25-26-16)23(30)27-12-9-17(10-13-27)21-8-4-5-11-28(21)22(29)14-18-6-2-3-7-20(18)24/h2-3,6-7,15,17,21H,4-5,8-14H2,1H3,(H,25,26)
InChIKeyIONMUYNYESOFCJ-UHFFFAOYSA-N
XLogP3.33
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
Cdkl5/gsk3-IN-1
CID 59733332
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-fluoro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995073
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methyl-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995074
1-[2-amino-4-(1H-pyrazol-3-yl)phenyl]-2-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]ethane-1,2-dione
CID 44191579
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 122703692
8-[[4-fluoro-3-[4-(1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 124221381
(4-fluorophenyl)(4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazino)methanone
CID 2812424

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone (CID 110252787) is 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone is Cc1[nH]ncc1C(=O)N1CCC(C2CCCCN2C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is IONMUYNYESOFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-16-19(15-25-26-16)23(30)27-12-9-17(10-13-27)21-8-4-5-11-28(21)22(29)14-18-6-2-3-7-20(18)24/h2-3,6-7,15,17,21H,4-5,8-14H2,1H3,(H,25,26).
What are the key properties of 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 412.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110252787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).