1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

C20H24N4O3 — CID 45192902

IUPAC1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)N(C)Cc3cnccn3)CCC2=O)c1
InChIInChI=1S/C20H24N4O3/c1-23(14-17-11-21-8-9-22-17)20(26)16-6-7-19(25)24(13-16)12-15-4-3-5-18(10-15)27-2/h3-5,8-11,16H,6-7,12-14H2,1-2H3
InChIKeyJRVNEPNWIXEKPY-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.88
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 45192902) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID45192902
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)N(C)Cc3cnccn3)CCC2=O)c1
InChIInChI=1S/C20H24N4O3/c1-23(14-17-11-21-8-9-22-17)20(26)16-6-7-19(25)24(13-16)12-15-4-3-5-18(10-15)27-2/h3-5,8-11,16H,6-7,12-14H2,1-2H3
InChIKeyJRVNEPNWIXEKPY-UHFFFAOYSA-N
XLogP1.88
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791223
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24791442
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one
CID 42532806
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 45184872
4-[(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022609
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 45241287
4-[(3R)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022610
(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 26328640
(3R)-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 42097750
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131915151

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (CID 45192902) is 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)N(C)Cc3cnccn3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JRVNEPNWIXEKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23(14-17-11-21-8-9-22-17)20(26)16-6-7-19(25)24(13-16)12-15-4-3-5-18(10-15)27-2/h3-5,8-11,16H,6-7,12-14H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45192902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).