4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide

C27H31FN4O4 — CID 69384138

IUPAC4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)N1CCC(CCNC(=O)COCc2ccc(F)cc2)CC1
InChIInChI=1S/C27H31FN4O4/c1-19-25(26(36-31-19)22-5-3-2-4-6-22)30-27(34)32-15-12-20(13-16-32)11-14-29-24(33)18-35-17-21-7-9-23(28)10-8-21/h2-10,20H,11-18H2,1H3,(H,29,33)(H,30,34)
InChIKeyWRTVLENMUMJLMA-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.76
Rot. Bonds9

About 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide

4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide (PubChem CID 69384138) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
PubChem CID69384138
Molecular FormulaC27H31FN4O4
Molecular Weight494.57 g/mol
Exact Mass494.23
IUPAC Name4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)N1CCC(CCNC(=O)COCc2ccc(F)cc2)CC1
InChIInChI=1S/C27H31FN4O4/c1-19-25(26(36-31-19)22-5-3-2-4-6-22)30-27(34)32-15-12-20(13-16-32)11-14-29-24(33)18-35-17-21-7-9-23(28)10-8-21/h2-10,20H,11-18H2,1H3,(H,29,33)(H,30,34)
InChIKeyWRTVLENMUMJLMA-UHFFFAOYSA-N
XLogP4.76
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide (CID 69384138) is 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide is Cc1noc(-c2ccccc2)c1NC(=O)N1CCC(CCNC(=O)COCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide?
The InChIKey is WRTVLENMUMJLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-19-25(26(36-31-19)22-5-3-2-4-6-22)30-27(34)32-15-12-20(13-16-32)11-14-29-24(33)18-35-17-21-7-9-23(28)10-8-21/h2-10,20H,11-18H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide?
4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 69384138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).