1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide

C19H21N3O3 — CID 75461152

IUPAC1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccnc(Oc3ccccc3)c2)CC1=O
InChIInChI=1S/C19H21N3O3/c1-22-10-8-15(12-18(22)23)19(24)21-13-14-7-9-20-17(11-14)25-16-5-3-2-4-6-16/h2-7,9,11,15H,8,10,12-13H2,1H3,(H,21,24)
InChIKeyADKFAAYMSXXUTG-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.36
Rot. Bonds5

About 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide

1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 75461152) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID75461152
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccnc(Oc3ccccc3)c2)CC1=O
InChIInChI=1S/C19H21N3O3/c1-22-10-8-15(12-18(22)23)19(24)21-13-14-7-9-20-17(11-14)25-16-5-3-2-4-6-16/h2-7,9,11,15H,8,10,12-13H2,1H3,(H,21,24)
InChIKeyADKFAAYMSXXUTG-UHFFFAOYSA-N
XLogP2.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea
CID 166217162
(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
CID 168955772
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55888074
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103
N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136536148
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55659080

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide (CID 75461152) is 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide is CN1CCC(C(=O)NCc2ccnc(Oc3ccccc3)c2)CC1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is ADKFAAYMSXXUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22-10-8-15(12-18(22)23)19(24)21-13-14-7-9-20-17(11-14)25-16-5-3-2-4-6-16/h2-7,9,11,15H,8,10,12-13H2,1H3,(H,21,24).
What are the key properties of 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide?
1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 75461152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).