2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide

C17H25N3O4 — CID 134707110

IUPAC2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1
InChIInChI=1S/C17H25N3O4/c1-19(2)10-16(23)18-14-5-3-12(4-6-14)17(24)20-8-7-13(11-21)15(22)9-20/h3-6,13,15,21-22H,7-11H2,1-2H3,(H,18,23)/t13-,15-/m1/s1
InChIKeyLGEFNZLMTRJALG-UKRRQHHQSA-N
MW335.40 g/mol
LogP0.00
Rot. Bonds5

About 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide

2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 134707110) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID134707110
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1
InChIInChI=1S/C17H25N3O4/c1-19(2)10-16(23)18-14-5-3-12(4-6-14)17(24)20-8-7-13(11-21)15(22)9-20/h3-6,13,15,21-22H,7-11H2,1-2H3,(H,18,23)/t13-,15-/m1/s1
InChIKeyLGEFNZLMTRJALG-UKRRQHHQSA-N
XLogP0.00
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide with MolForge

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Related Compounds

methyl 4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]benzoate
CID 155503093
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
2-[acetyl(propan-2-yl)amino]-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 83279258
N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42676144
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
CID 119634838
2-(dimethylamino)-N-[4-[(4R)-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 141182507
4-methoxy-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42676137
2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676763

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide (CID 134707110) is 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide is CN(C)CC(=O)Nc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is LGEFNZLMTRJALG-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-19(2)10-16(23)18-14-5-3-12(4-6-14)17(24)20-8-7-13(11-21)15(22)9-20/h3-6,13,15,21-22H,7-11H2,1-2H3,(H,18,23)/t13-,15-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 134707110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).