N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide

C24H29FN4O3 — CID 55657688

IUPACN-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C24H29FN4O3/c25-19-6-8-21(9-7-19)29-14-12-28(13-15-29)11-10-26-23(30)18-3-1-4-20(17-18)27-24(31)22-5-2-16-32-22/h1,3-4,6-9,17,22H,2,5,10-16H2,(H,26,30)(H,27,31)
InChIKeyLQVIAKNVNASDIZ-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.50
Rot. Bonds7

About N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 55657688) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID55657688
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C24H29FN4O3/c25-19-6-8-21(9-7-19)29-14-12-28(13-15-29)11-10-26-23(30)18-3-1-4-20(17-18)27-24(31)22-5-2-16-32-22/h1,3-4,6-9,17,22H,2,5,10-16H2,(H,26,30)(H,27,31)
InChIKeyLQVIAKNVNASDIZ-UHFFFAOYSA-N
XLogP2.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 52511520
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111083100
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32781324

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 55657688) is N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is LQVIAKNVNASDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c25-19-6-8-21(9-7-19)29-14-12-28(13-15-29)11-10-26-23(30)18-3-1-4-20(17-18)27-24(31)22-5-2-16-32-22/h1,3-4,6-9,17,22H,2,5,10-16H2,(H,26,30)(H,27,31).
What are the key properties of N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55657688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).