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

C20H30N2O4 — CID 72893356

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide
SMILESCCC(=O)N1CCCC(CCC(=O)NCc2ccc(OC)cc2OC)C1
InChIInChI=1S/C20H30N2O4/c1-4-20(24)22-11-5-6-15(14-22)7-10-19(23)21-13-16-8-9-17(25-2)12-18(16)26-3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,21,23)
InChIKeyUQGQQVLHDMIPFB-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.75
Rot. Bonds8

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

N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide (PubChem CID 72893356) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide
PubChem CID72893356
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide
SMILESCCC(=O)N1CCCC(CCC(=O)NCc2ccc(OC)cc2OC)C1
InChIInChI=1S/C20H30N2O4/c1-4-20(24)22-11-5-6-15(14-22)7-10-19(23)21-13-16-8-9-17(25-2)12-18(16)26-3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,21,23)
InChIKeyUQGQQVLHDMIPFB-UHFFFAOYSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
CID 72920063
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
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45235401
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide (CID 72893356) is N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide is CCC(=O)N1CCCC(CCC(=O)NCc2ccc(OC)cc2OC)C1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide?
The InChIKey is UQGQQVLHDMIPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-20(24)22-11-5-6-15(14-22)7-10-19(23)21-13-16-8-9-17(25-2)12-18(16)26-3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide is sourced from PubChem (CID 72893356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).