N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide

C25H34N2O3 — CID 42853332

IUPACN-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C25H34N2O3/c1-5-6-25(28)27(22-11-12-23(29-3)24(17-22)30-4)21-13-15-26(16-14-21)18-20-9-7-19(2)8-10-20/h7-12,17,21H,5-6,13-16,18H2,1-4H3
InChIKeyDJIWSXXSASQGGW-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.81
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide

N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide (PubChem CID 42853332) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
PubChem CID42853332
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C25H34N2O3/c1-5-6-25(28)27(22-11-12-23(29-3)24(17-22)30-4)21-13-15-26(16-14-21)18-20-9-7-19(2)8-10-20/h7-12,17,21H,5-6,13-16,18H2,1-4H3
InChIKeyDJIWSXXSASQGGW-UHFFFAOYSA-N
XLogP4.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921
N-(3-fluoro-4-methylphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46048329
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
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42853361
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
CID 46054472
N-(3,4-dimethoxyphenyl)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 42853326
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide
CID 46048250
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
CID 46054860
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide
CID 42858130
N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853300

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide (CID 42853332) is N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide is CCCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide?
The InChIKey is DJIWSXXSASQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-6-25(28)27(22-11-12-23(29-3)24(17-22)30-4)21-13-15-26(16-14-21)18-20-9-7-19(2)8-10-20/h7-12,17,21H,5-6,13-16,18H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide?
N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide has a molecular weight of 410.56 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 42853332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).