1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide

C25H29FN4O3 — CID 26021668

IUPAC1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C25H29FN4O3/c26-20-7-5-18(6-8-20)22(29-13-15-32-16-14-29)17-27-24(31)19-9-11-30(12-10-19)25-28-21-3-1-2-4-23(21)33-25/h1-8,19,22H,9-17H2,(H,27,31)/t22-/m1/s1
InChIKeyXVHJCQYFHPCLFL-JOCHJYFZSA-N
MW452.53 g/mol
LogP3.37
Rot. Bonds6

About 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide (PubChem CID 26021668) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
PubChem CID26021668
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C25H29FN4O3/c26-20-7-5-18(6-8-20)22(29-13-15-32-16-14-29)17-27-24(31)19-9-11-30(12-10-19)25-28-21-3-1-2-4-23(21)33-25/h1-8,19,22H,9-17H2,(H,27,31)/t22-/m1/s1
InChIKeyXVHJCQYFHPCLFL-JOCHJYFZSA-N
XLogP3.37
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 4787425
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide
CID 4082568
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 17482911
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 42059906
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide (CID 26021668) is 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide is O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The InChIKey is XVHJCQYFHPCLFL-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29FN4O3/c26-20-7-5-18(6-8-20)22(29-13-15-32-16-14-29)17-27-24(31)19-9-11-30(12-10-19)25-28-21-3-1-2-4-23(21)33-25/h1-8,19,22H,9-17H2,(H,27,31)/t22-/m1/s1.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 26021668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).