N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide

C17H25N3O4 — CID 75392629

IUPACN-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC(C)C2CO)ccc1NC(C)=O
InChIInChI=1S/C17H25N3O4/c1-11-5-4-8-20(15(11)10-21)17(23)19-13-6-7-14(18-12(2)22)16(9-13)24-3/h6-7,9,11,15,21H,4-5,8,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyLTCHVIYZBWSKJC-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.28
Rot. Bonds4

About N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide

N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide (PubChem CID 75392629) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
PubChem CID75392629
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC(C)C2CO)ccc1NC(C)=O
InChIInChI=1S/C17H25N3O4/c1-11-5-4-8-20(15(11)10-21)17(23)19-13-6-7-14(18-12(2)22)16(9-13)24-3/h6-7,9,11,15,21H,4-5,8,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyLTCHVIYZBWSKJC-UHFFFAOYSA-N
XLogP2.28
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide
CID 102786021
(2S,3S)-2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97083086
N-[6-(dimethylamino)-3-pyridinyl]-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 71907067
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 102785989
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
(2S,3R)-N-(4-cyclopentyloxyphenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99828953
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2R,3S)-N-[3-chloro-2-(methoxymethyl)phenyl]-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 97084478
(2S)-1-[(4-bromo-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 82859934
(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104979945
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide (CID 75392629) is N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide is COc1cc(NC(=O)N2CCCC(C)C2CO)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is LTCHVIYZBWSKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-5-4-8-20(15(11)10-21)17(23)19-13-6-7-14(18-12(2)22)16(9-13)24-3/h6-7,9,11,15,21H,4-5,8,10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 75392629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).