N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C21H38N4O3 — CID 24791144

IUPACN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CN1CCCC1)NC(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C21H38N4O3/c1-21(2,17-24-8-3-4-9-24)22-20(27)18-6-7-19(26)25(16-18)11-5-10-23-12-14-28-15-13-23/h18H,3-17H2,1-2H3,(H,22,27)
InChIKeyCLDZPGYVUOTVHF-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.94
Rot. Bonds8

About N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24791144) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID24791144
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC NameN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CN1CCCC1)NC(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C21H38N4O3/c1-21(2,17-24-8-3-4-9-24)22-20(27)18-6-7-19(26)25(16-18)11-5-10-23-12-14-28-15-13-23/h18H,3-17H2,1-2H3,(H,22,27)
InChIKeyCLDZPGYVUOTVHF-UHFFFAOYSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 24791144) is N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is CC(C)(CN1CCCC1)NC(=O)C1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is CLDZPGYVUOTVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-21(2,17-24-8-3-4-9-24)22-20(27)18-6-7-19(26)25(16-18)11-5-10-23-12-14-28-15-13-23/h18H,3-17H2,1-2H3,(H,22,27).
What are the key properties of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).