2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C19H29N3O3 — CID 60598165

IUPAC2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCCC(CNC(C)=O)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-15(23)20-11-17-5-4-10-22(13-17)14-19(24)21(2)12-16-6-8-18(25-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3,(H,20,23)
InChIKeyRGIBVUSCPNUZDP-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.50
Rot. Bonds7

About 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 60598165) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID60598165
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCCC(CNC(C)=O)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-15(23)20-11-17-5-4-10-22(13-17)14-19(24)21(2)12-16-6-8-18(25-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3,(H,20,23)
InChIKeyRGIBVUSCPNUZDP-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4S)-1-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]azepan-4-yl]acetic acid
CID 129489255
2-[1-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]azepan-4-yl]acetic acid
CID 120953592
2-[1-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidin-3-yl]acetamide
CID 131963538
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920048
(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 8544301
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
3-ethyl-1-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 42566930
N-[[(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 25369354
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530

Frequently Asked Questions

What is the IUPAC name of 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 60598165) is 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN2CCCC(CNC(C)=O)C2)cc1.
What is the InChIKey of 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is RGIBVUSCPNUZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(23)20-11-17-5-4-10-22(13-17)14-19(24)21(2)12-16-6-8-18(25-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60598165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).