N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C26H33N3O4 — CID 56513467

IUPACN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C26H33N3O4/c30-24-11-4-5-12-29(24)25(22-8-2-1-3-9-22)26(31)27-20-21-7-6-10-23(19-21)33-18-15-28-13-16-32-17-14-28/h1-3,6-10,19,25H,4-5,11-18,20H2,(H,27,31)
InChIKeyYVLYZKAYJCSDMF-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.77
Rot. Bonds9

About N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56513467) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56513467
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C26H33N3O4/c30-24-11-4-5-12-29(24)25(22-8-2-1-3-9-22)26(31)27-20-21-7-6-10-23(19-21)33-18-15-28-13-16-32-17-14-28/h1-3,6-10,19,25H,4-5,11-18,20H2,(H,27,31)
InChIKeyYVLYZKAYJCSDMF-UHFFFAOYSA-N
XLogP2.77
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48693432
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626689
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505727
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416421

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56513467) is N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(NCc1cccc(OCCN2CCOCC2)c1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is YVLYZKAYJCSDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c30-24-11-4-5-12-29(24)25(22-8-2-1-3-9-22)26(31)27-20-21-7-6-10-23(19-21)33-18-15-28-13-16-32-17-14-28/h1-3,6-10,19,25H,4-5,11-18,20H2,(H,27,31).
What are the key properties of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 451.57 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56513467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).