N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide

C23H28N2O4 — CID 46417857

IUPACN,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-24(2)22(26)17-29-21-11-7-6-10-20(21)23(27)25-14-12-19(13-15-25)28-16-18-8-4-3-5-9-18/h3-11,19H,12-17H2,1-2H3
InChIKeyJIXLUBRMANEEPL-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.97
Rot. Bonds7

About N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide

N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide (PubChem CID 46417857) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
PubChem CID46417857
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-24(2)22(26)17-29-21-11-7-6-10-20(21)23(27)25-14-12-19(13-15-25)28-16-18-8-4-3-5-9-18/h3-11,19H,12-17H2,1-2H3
InChIKeyJIXLUBRMANEEPL-UHFFFAOYSA-N
XLogP2.97
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
N,N-dimethyl-2-[2-(4-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 39580956
2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide
CID 46643290
(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257347
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide (CID 46417857) is N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide is CN(C)C(=O)COc1ccccc1C(=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide?
The InChIKey is JIXLUBRMANEEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-24(2)22(26)17-29-21-11-7-6-10-20(21)23(27)25-14-12-19(13-15-25)28-16-18-8-4-3-5-9-18/h3-11,19H,12-17H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide?
N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 46417857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).