2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

C27H30FN3O2 — CID 11554154

IUPAC2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2N2CCCCC2)cc1
InChIInChI=1S/C27H30FN3O2/c1-2-33-24-12-9-21(10-13-24)25-14-11-23(30-27(25)31-15-4-3-5-16-31)18-26(32)29-19-20-7-6-8-22(28)17-20/h6-14,17H,2-5,15-16,18-19H2,1H3,(H,29,32)
InChIKeyJFZNLMCTAYEVTC-UHFFFAOYSA-N
MW447.55 g/mol
LogP5.14
Rot. Bonds8

About 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 11554154) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID11554154
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC Name2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2N2CCCCC2)cc1
InChIInChI=1S/C27H30FN3O2/c1-2-33-24-12-9-21(10-13-24)25-14-11-23(30-27(25)31-15-4-3-5-16-31)18-26(32)29-19-20-7-6-8-22(28)17-20/h6-14,17H,2-5,15-16,18-19H2,1H3,(H,29,32)
InChIKeyJFZNLMCTAYEVTC-UHFFFAOYSA-N
XLogP5.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tirbanibulin
CID 23635314
N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethyl}acetamide
CID 23647886
N-{2-[(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-methyl-3-oxo-2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethyl}acetamide
CID 23647893
(2-{4-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl}-cyclopropyl)acetic acid
CID 10132697
(2,2-Dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-phenyl}cyclopropyl)acetic acid
CID 22347519
(2-{3-Fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylamino)propoxy]-phenyl}cyclopropyl)acetic acid
CID 44423882
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 6914628
rac-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
CID 16043268
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647878
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,4-difluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647879
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(4-fluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647880
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(2,3-difluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647881

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (CID 11554154) is 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is CCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2N2CCCCC2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is JFZNLMCTAYEVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-2-33-24-12-9-21(10-13-24)25-14-11-23(30-27(25)31-15-4-3-5-16-31)18-26(32)29-19-20-7-6-8-22(28)17-20/h6-14,17H,2-5,15-16,18-19H2,1H3,(H,29,32).
What are the key properties of 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 447.55 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 11554154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).