N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide

C23H30N2O3 — CID 8623456

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESCOc1cc(CNC(=O)CN2CCCC[C@@H]2C)ccc1OCc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-18-8-6-7-13-25(18)16-23(26)24-15-20-11-12-21(22(14-20)27-2)28-17-19-9-4-3-5-10-19/h3-5,9-12,14,18H,6-8,13,15-17H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyBAUFQWHZBNCYDZ-SFHVURJKSA-N
MW382.50 g/mol
LogP3.76
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 8623456) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID8623456
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESCOc1cc(CNC(=O)CN2CCCC[C@@H]2C)ccc1OCc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-18-8-6-7-13-25(18)16-23(26)24-15-20-11-12-21(22(14-20)27-2)28-17-19-9-4-3-5-10-19/h3-5,9-12,14,18H,6-8,13,15-17H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyBAUFQWHZBNCYDZ-SFHVURJKSA-N
XLogP3.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 92786574
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24574969
tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 66587122
(3S)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8546331
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 8623456) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide is COc1cc(CNC(=O)CN2CCCC[C@@H]2C)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is BAUFQWHZBNCYDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18-8-6-7-13-25(18)16-23(26)24-15-20-11-12-21(22(14-20)27-2)28-17-19-9-4-3-5-10-19/h3-5,9-12,14,18H,6-8,13,15-17H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8623456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).