N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C23H35N3O4 — CID 24793939

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1
InChIInChI=1S/C23H35N3O4/c1-19-4-7-21(8-5-19)30-17-12-24(2)23(28)20-6-9-22(27)26(18-20)11-3-10-25-13-15-29-16-14-25/h4-5,7-8,20H,3,6,9-18H2,1-2H3
InChIKeyZPFNDHCOUHRAON-UHFFFAOYSA-N
MW417.55 g/mol
LogP1.79
Rot. Bonds9

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24793939) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID24793939
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1
InChIInChI=1S/C23H35N3O4/c1-19-4-7-21(8-5-19)30-17-12-24(2)23(28)20-6-9-22(27)26(18-20)11-3-10-25-13-15-29-16-14-25/h4-5,7-8,20H,3,6,9-18H2,1-2H3
InChIKeyZPFNDHCOUHRAON-UHFFFAOYSA-N
XLogP1.79
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

3-(4-Isopropoxyphenyl)-4-methyl-1-morpholinopentan-1-one
CID 3365865
1-acetyl-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 9439687
3-Cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 651244
4-(4-Methylphenoxy)-1-morpholin-4-ylbutan-1-one
CID 1565370
1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidine-4-carboxylic acid methylamide
CID 18678345
2-(4-Methoxy-phenyl)-1-morpholin-4-yl-ethanone
CID 763436
1-[(4-Methylphenoxy)acetyl]-4-(phenylacetyl)piperazine
CID 1359190
3-(4-Isopropoxy-benzyl)-1-methyl-piperidine-2,6-dione
CID 2835330
1-(4-Methoxybenzyl)-4-(morpholin-4-ylcarbonyl)pyrrolidin-2-one
CID 3241551
1-(2,6-Dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 3246757
1-Cyclopentyl-5-[4-(2-methylphenoxy)piperidine-1-carbonyl]piperidin-2-one
CID 24791118
N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 24791533

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 24793939) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(OCCN(C)C(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is ZPFNDHCOUHRAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-19-4-7-21(8-5-19)30-17-12-24(2)23(28)20-6-9-22(27)26(18-20)11-3-10-25-13-15-29-16-14-25/h4-5,7-8,20H,3,6,9-18H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 1.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).