[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C20H25FN4O2 — CID 24817652

IUPAC[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C20H25FN4O2/c1-15-19(27-14-22-15)20(26)25-8-4-5-16(13-25)23-9-11-24(12-10-23)18-7-3-2-6-17(18)21/h2-3,6-7,14,16H,4-5,8-13H2,1H3
InChIKeyLYBGLYIMSSICJY-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.55
Rot. Bonds3

About [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 24817652) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID24817652
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C20H25FN4O2/c1-15-19(27-14-22-15)20(26)25-8-4-5-16(13-25)23-9-11-24(12-10-23)18-7-3-2-6-17(18)21/h2-3,6-7,14,16H,4-5,8-13H2,1H3
InChIKeyLYBGLYIMSSICJY-UHFFFAOYSA-N
XLogP2.55
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

1-{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24791785
N-(4'-fluoro-3-biphenylyl)-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinecarboxamide
CID 24790772
1-{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24817537
N-o-fluorophenyl-4-methyl-1,3-oxazole-5-carboxamide
CID 4140132
3-[2-(3,4-Difluorophenyl)ethyl]-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidine
CID 45223663
1-(2,3-Difluorobenzyl)-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-pyrrolidinyl}piperidine
CID 45246103
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(6-methyl-3-pyridinyl)-2-piperazinecarboxamide
CID 56895642
N-(1-benzylpiperidin-3-yl)-4-methyl-N-propyl-1,3-oxazole-5-carboxamide
CID 72109883
[4-[Cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91919173
CID 124044871
CID 124044871
(1S,11R)-14-(4-methyl-1,3-oxazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202088
N-(4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 4140134

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 24817652) is [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is LYBGLYIMSSICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-15-19(27-14-22-15)20(26)25-8-4-5-16(13-25)23-9-11-24(12-10-23)18-7-3-2-6-17(18)21/h2-3,6-7,14,16H,4-5,8-13H2,1H3.
What are the key properties of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 372.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 24817652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).