1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C18H28N4O3 — CID 24791442

IUPAC1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccnc(CN(C)C(=O)C2CCC(=O)N(CCN(C)C)C2)c1
InChIInChI=1S/C18H28N4O3/c1-20(2)9-10-22-12-14(5-6-17(22)23)18(24)21(3)13-15-11-16(25-4)7-8-19-15/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3
InChIKeyZQKMIWZTGJEJKQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.85
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24791442) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24791442
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccnc(CN(C)C(=O)C2CCC(=O)N(CCN(C)C)C2)c1
InChIInChI=1S/C18H28N4O3/c1-20(2)9-10-22-12-14(5-6-17(22)23)18(24)21(3)13-15-11-16(25-4)7-8-19-15/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3
InChIKeyZQKMIWZTGJEJKQ-UHFFFAOYSA-N
XLogP0.85
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 45184872
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791223
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902
(3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42393163
(3R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97128790
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45167949
(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 26404499
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea
CID 126430739
(3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 97131628
(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 26328640
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 25288010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24791442) is 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is COc1ccnc(CN(C)C(=O)C2CCC(=O)N(CCN(C)C)C2)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is ZQKMIWZTGJEJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-20(2)9-10-22-12-14(5-6-17(22)23)18(24)21(3)13-15-11-16(25-4)7-8-19-15/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).