1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C20H29N3O4 — CID 24792062

IUPAC1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCN3CCOCC3)CCC2=O)c1
InChIInChI=1S/C20H29N3O4/c1-26-18-4-2-3-16(13-18)14-23-15-17(5-6-19(23)24)20(25)21-7-8-22-9-11-27-12-10-22/h2-4,13,17H,5-12,14-15H2,1H3,(H,21,25)
InChIKeyCBSFREATEGAYTI-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.88
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24792062) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24792062
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCN3CCOCC3)CCC2=O)c1
InChIInChI=1S/C20H29N3O4/c1-26-18-4-2-3-16(13-18)14-23-15-17(5-6-19(23)24)20(25)21-7-8-22-9-11-27-12-10-22/h2-4,13,17H,5-12,14-15H2,1H3,(H,21,25)
InChIKeyCBSFREATEGAYTI-UHFFFAOYSA-N
XLogP0.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 24792062) is 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)NCCN3CCOCC3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is CBSFREATEGAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-18-4-2-3-16(13-18)14-23-15-17(5-6-19(23)24)20(25)21-7-8-22-9-11-27-12-10-22/h2-4,13,17H,5-12,14-15H2,1H3,(H,21,25).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24792062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).