N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide

C19H28N2O5 — CID 72920063

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(CNC(=O)CCC2CCCN(C(=O)CO)C2)c(OC)c1
InChIInChI=1S/C19H28N2O5/c1-25-16-7-6-15(17(10-16)26-2)11-20-18(23)8-5-14-4-3-9-21(12-14)19(24)13-22/h6-7,10,14,22H,3-5,8-9,11-13H2,1-2H3,(H,20,23)
InChIKeyVZRBAFSXMDFCLQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.33
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide (PubChem CID 72920063) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
PubChem CID72920063
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(CNC(=O)CCC2CCCN(C(=O)CO)C2)c(OC)c1
InChIInChI=1S/C19H28N2O5/c1-25-16-7-6-15(17(10-16)26-2)11-20-18(23)8-5-14-4-3-9-21(12-14)19(24)13-22/h6-7,10,14,22H,3-5,8-9,11-13H2,1-2H3,(H,20,23)
InChIKeyVZRBAFSXMDFCLQ-UHFFFAOYSA-N
XLogP1.33
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide
CID 72893356
3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide
CID 72864498
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide
CID 72871700
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
CID 45204302
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42289354
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26326111
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42343520
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(3-ethynylbenzoyl)piperidin-3-yl]propanamide
CID 45188774
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
CID 42214664

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide (CID 72920063) is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CCC2CCCN(C(=O)CO)C2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide?
The InChIKey is VZRBAFSXMDFCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-25-16-7-6-15(17(10-16)26-2)11-20-18(23)8-5-14-4-3-9-21(12-14)19(24)13-22/h6-7,10,14,22H,3-5,8-9,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72920063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).