2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

C24H26N4O3 — CID 55802771

IUPAC2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C24H26N4O3/c29-23(27-20-8-4-15-28(16-20)24-25-13-5-14-26-24)18-31-22-11-9-21(10-12-22)30-17-19-6-2-1-3-7-19/h1-3,5-7,9-14,20H,4,8,15-18H2,(H,27,29)
InChIKeyNUPKISPEONBYKC-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.22
Rot. Bonds8

About 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (PubChem CID 55802771) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
PubChem CID55802771
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C24H26N4O3/c29-23(27-20-8-4-15-28(16-20)24-25-13-5-14-26-24)18-31-22-11-9-21(10-12-22)30-17-19-6-2-1-3-7-19/h1-3,5-7,9-14,20H,4,8,15-18H2,(H,27,29)
InChIKeyNUPKISPEONBYKC-UHFFFAOYSA-N
XLogP3.22
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
CID 122137262
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 95717925
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (CID 55802771) is 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The InChIKey is NUPKISPEONBYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(27-20-8-4-15-28(16-20)24-25-13-5-14-26-24)18-31-22-11-9-21(10-12-22)30-17-19-6-2-1-3-7-19/h1-3,5-7,9-14,20H,4,8,15-18H2,(H,27,29).
What are the key properties of 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is sourced from PubChem (CID 55802771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).