N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide

C16H22N2O3 — CID 80703132

IUPACN-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C16H22N2O3/c1-12(19)17(3)14-7-5-4-6-13(14)15(20)18-10-8-16(2,21)9-11-18/h4-7,21H,8-11H2,1-3H3
InChIKeyCNCLFIULHKENEC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.66
Rot. Bonds2

About N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide

N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide (PubChem CID 80703132) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide
PubChem CID80703132
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C16H22N2O3/c1-12(19)17(3)14-7-5-4-6-13(14)15(20)18-10-8-16(2,21)9-11-18/h4-7,21H,8-11H2,1-3H3
InChIKeyCNCLFIULHKENEC-UHFFFAOYSA-N
XLogP1.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 80710393
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62932565
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 115696691
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449575
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide (CID 80703132) is N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide?
The InChIKey is CNCLFIULHKENEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)17(3)14-7-5-4-6-13(14)15(20)18-10-8-16(2,21)9-11-18/h4-7,21H,8-11H2,1-3H3.
What are the key properties of N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide?
N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 80703132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).