N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide

C22H30N2O4 — CID 42858172

IUPACN-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccco3)CC2)cc1OC
InChIInChI=1S/C22H30N2O4/c1-16(2)22(25)24(18-7-8-20(26-3)21(14-18)27-4)17-9-11-23(12-10-17)15-19-6-5-13-28-19/h5-8,13-14,16-17H,9-12,15H2,1-4H3
InChIKeyQHSGTNPFTLLQLC-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.95
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide

N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 42858172) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID42858172
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccco3)CC2)cc1OC
InChIInChI=1S/C22H30N2O4/c1-16(2)22(25)24(18-7-8-20(26-3)21(14-18)27-4)17-9-11-23(12-10-17)15-19-6-5-13-28-19/h5-8,13-14,16-17H,9-12,15H2,1-4H3
InChIKeyQHSGTNPFTLLQLC-UHFFFAOYSA-N
XLogP3.95
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853305
N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853300
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 46054319
N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42858416
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-(3,4-dimethoxyphenyl)-N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]acetamide
CID 46054543
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 42853448
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide
CID 46051987
N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide
CID 42856599
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide (CID 42858172) is N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide is COc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccco3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is QHSGTNPFTLLQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-16(2)22(25)24(18-7-8-20(26-3)21(14-18)27-4)17-9-11-23(12-10-17)15-19-6-5-13-28-19/h5-8,13-14,16-17H,9-12,15H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide?
N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 386.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 42858172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).