N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide

C23H30N2O3 — CID 42858221

IUPACN-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(CN2CCC(N(C(C)=O)c3ccc(C)cc3)CC2)c(OC)c1
InChIInChI=1S/C23H30N2O3/c1-17-5-8-20(9-6-17)25(18(2)26)21-11-13-24(14-12-21)16-19-7-10-22(27-3)15-23(19)28-4/h5-10,15,21H,11-14,16H2,1-4H3
InChIKeyDDMKLXKLVJOKHB-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.03
Rot. Bonds6

About N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide

N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 42858221) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
PubChem CID42858221
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(CN2CCC(N(C(C)=O)c3ccc(C)cc3)CC2)c(OC)c1
InChIInChI=1S/C23H30N2O3/c1-17-5-8-20(9-6-17)25(18(2)26)21-11-13-24(14-12-21)16-19-7-10-22(27-3)15-23(19)28-4/h5-10,15,21H,11-14,16H2,1-4H3
InChIKeyDDMKLXKLVJOKHB-UHFFFAOYSA-N
XLogP4.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 91635293
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbutanamide
CID 46054341
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42858229
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 46054319
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-(3,4-dimethoxyphenyl)-N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]acetamide
CID 46054543

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide (CID 42858221) is N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide is COc1ccc(CN2CCC(N(C(C)=O)c3ccc(C)cc3)CC2)c(OC)c1.
What is the InChIKey of N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is DDMKLXKLVJOKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-5-8-20(9-6-17)25(18(2)26)21-11-13-24(14-12-21)16-19-7-10-22(27-3)15-23(19)28-4/h5-10,15,21H,11-14,16H2,1-4H3.
What are the key properties of N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide?
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 42858221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).