2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C22H33N3O4 — CID 73139173

IUPAC2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCC1CN(C(=O)N2CCOCC2)CCC1CC(=O)NCc1ccccc1OC
InChIInChI=1S/C22H33N3O4/c1-3-17-16-25(22(27)24-10-12-29-13-11-24)9-8-18(17)14-21(26)23-15-19-6-4-5-7-20(19)28-2/h4-7,17-18H,3,8-16H2,1-2H3,(H,23,26)
InChIKeyIETOUBYBANEGCF-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.50
Rot. Bonds6

About 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 73139173) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID73139173
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCC1CN(C(=O)N2CCOCC2)CCC1CC(=O)NCc1ccccc1OC
InChIInChI=1S/C22H33N3O4/c1-3-17-16-25(22(27)24-10-12-29-13-11-24)9-8-18(17)14-21(26)23-15-19-6-4-5-7-20(19)28-2/h4-7,17-18H,3,8-16H2,1-2H3,(H,23,26)
InChIKeyIETOUBYBANEGCF-UHFFFAOYSA-N
XLogP2.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11912308
N-[2-(dimethylamino)ethyl]-2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]acetamide
CID 73138916
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 73147830
(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 119072836
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 73139173) is 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is CCC1CN(C(=O)N2CCOCC2)CCC1CC(=O)NCc1ccccc1OC.
What is the InChIKey of 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is IETOUBYBANEGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-3-17-16-25(22(27)24-10-12-29-13-11-24)9-8-18(17)14-21(26)23-15-19-6-4-5-7-20(19)28-2/h4-7,17-18H,3,8-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 403.52 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 73139173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).