4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide

C24H31FN4O2 — CID 86969014

IUPAC4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C24H31FN4O2/c1-19(18-28-11-13-29(14-12-28)22-7-2-3-10-26-22)27-23(30)24(8-15-31-16-9-24)20-5-4-6-21(25)17-20/h2-7,10,17,19H,8-9,11-16,18H2,1H3,(H,27,30)
InChIKeyRSXRBZSJSJBSFR-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.60
Rot. Bonds6

About 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide (PubChem CID 86969014) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
PubChem CID86969014
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C24H31FN4O2/c1-19(18-28-11-13-29(14-12-28)22-7-2-3-10-26-22)27-23(30)24(8-15-31-16-9-24)20-5-4-6-21(25)17-20/h2-7,10,17,19H,8-9,11-16,18H2,1H3,(H,27,30)
InChIKeyRSXRBZSJSJBSFR-UHFFFAOYSA-N
XLogP2.60
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 86968950
4-(2-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86968785
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 92614078
4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
CID 46978027
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46978008
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110148571
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 60582798

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide (CID 86969014) is 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide?
The InChIKey is RSXRBZSJSJBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-19(18-28-11-13-29(14-12-28)22-7-2-3-10-26-22)27-23(30)24(8-15-31-16-9-24)20-5-4-6-21(25)17-20/h2-7,10,17,19H,8-9,11-16,18H2,1H3,(H,27,30).
What are the key properties of 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 86969014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).