(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide

C26H32FN3O3 — CID 54011116

IUPAC(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCO[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1
InChIInChI=1S/C26H32FN3O3/c1-19(31)22-3-2-4-24(16-22)28-26(32)30-13-14-33-25(18-30)17-29-11-9-21(10-12-29)15-20-5-7-23(27)8-6-20/h2-8,16,21,25H,9-15,17-18H2,1H3,(H,28,32)/t25-/m1/s1
InChIKeyKSKLWCPPFWMFHU-RUZDIDTESA-N
MW453.56 g/mol
LogP4.22
Rot. Bonds6

About (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide

(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide (PubChem CID 54011116) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide
PubChem CID54011116
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC Name(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCO[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1
InChIInChI=1S/C26H32FN3O3/c1-19(31)22-3-2-4-24(16-22)28-26(32)30-13-14-33-25(18-30)17-29-11-9-21(10-12-29)15-20-5-7-23(27)8-6-20/h2-8,16,21,25H,9-15,17-18H2,1H3,(H,28,32)/t25-/m1/s1
InChIKeyKSKLWCPPFWMFHU-RUZDIDTESA-N
XLogP4.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
CID 23509665
1-(3-acetylphenyl)-3-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
CID 11465468
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393282
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-hydroxypropyl]urea
CID 22504630
2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-[(3-methoxyphenyl)carbamoyl]piperazine-1-carboxylic acid
CID 70198251
1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
CID 29023713
(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 97444795
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide
CID 92987988
1-(3-acetylphenyl)-3-[4-fluoro-2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-yl]urea
CID 75184826
1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393401

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide (CID 54011116) is (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide is CC(=O)c1cccc(NC(=O)N2CCO[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide?
The InChIKey is KSKLWCPPFWMFHU-RUZDIDTESA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-19(31)22-3-2-4-24(16-22)28-26(32)30-13-14-33-25(18-30)17-29-11-9-21(10-12-29)15-20-5-7-23(27)8-6-20/h2-8,16,21,25H,9-15,17-18H2,1H3,(H,28,32)/t25-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide?
(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 54011116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).