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

C20H33N5O3 — CID 25279696

IUPAC(3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1nccn1CCN(C)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C20H33N5O3/c1-17-21-6-9-24(17)11-10-22(2)20(27)18-4-5-19(26)25(16-18)8-3-7-23-12-14-28-15-13-23/h6,9,18H,3-5,7-8,10-16H2,1-2H3/t18-/m1/s1
InChIKeyJHTCXAGVRWORHV-GOSISDBHSA-N
MW391.52 g/mol
LogP0.61
Rot. Bonds8

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

(3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 25279696) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID25279696
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name(3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1nccn1CCN(C)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C20H33N5O3/c1-17-21-6-9-24(17)11-10-22(2)20(27)18-4-5-19(26)25(16-18)8-3-7-23-12-14-28-15-13-23/h6,9,18H,3-5,7-8,10-16H2,1-2H3/t18-/m1/s1
InChIKeyJHTCXAGVRWORHV-GOSISDBHSA-N
XLogP0.61
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 25279696) is (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is Cc1nccn1CCN(C)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is JHTCXAGVRWORHV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-17-21-6-9-24(17)11-10-22(2)20(27)18-4-5-19(26)25(16-18)8-3-7-23-12-14-28-15-13-23/h6,9,18H,3-5,7-8,10-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25279696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).