3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide

C18H23N3O3 — CID 128788540

IUPAC3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide
SMILESCC1C(CO)CCCN1C(=O)Nc1ccc2ccn(C)c(=O)c2c1
InChIInChI=1S/C18H23N3O3/c1-12-14(11-22)4-3-8-21(12)18(24)19-15-6-5-13-7-9-20(2)17(23)16(13)10-15/h5-7,9-10,12,14,22H,3-4,8,11H2,1-2H3,(H,19,24)
InChIKeyVANUGCGRKVFAOI-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.16
Rot. Bonds2

About 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide

3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide (PubChem CID 128788540) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide
PubChem CID128788540
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide
SMILESCC1C(CO)CCCN1C(=O)Nc1ccc2ccn(C)c(=O)c2c1
InChIInChI=1S/C18H23N3O3/c1-12-14(11-22)4-3-8-21(12)18(24)19-15-6-5-13-7-9-20(2)17(23)16(13)10-15/h5-7,9-10,12,14,22H,3-4,8,11H2,1-2H3,(H,19,24)
InChIKeyVANUGCGRKVFAOI-UHFFFAOYSA-N
XLogP2.16
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-oxoisoquinolin-7-yl)thiomorpholine-4-carboxamide
CID 119053057
4-hydroxy-3,3-dimethyl-N-(2-methyl-1-oxoisoquinolin-7-yl)pyrrolidine-1-carboxamide
CID 136541624
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
2-(hydroxymethyl)-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
CID 154749331
2-chloro-5-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123451
N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 75392629
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 102785989
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 124829021
2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide
CID 102786021

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide (CID 128788540) is 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide is CC1C(CO)CCCN1C(=O)Nc1ccc2ccn(C)c(=O)c2c1.
What is the InChIKey of 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide?
The InChIKey is VANUGCGRKVFAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-14(11-22)4-3-8-21(12)18(24)19-15-6-5-13-7-9-20(2)17(23)16(13)10-15/h5-7,9-10,12,14,22H,3-4,8,11H2,1-2H3,(H,19,24).
What are the key properties of 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide?
3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-methyl-N-(2-methyl-1-oxoisoquinolin-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128788540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).