N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide

C23H28N2O4 — CID 108555406

IUPACN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16-5-4-6-18(13-16)23(27)24-19-9-11-25(12-10-19)22(26)15-17-7-8-20(28-2)21(14-17)29-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyNHUANXVETKOPSR-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.98
Rot. Bonds6

About N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide (PubChem CID 108555406) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
PubChem CID108555406
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16-5-4-6-18(13-16)23(27)24-19-9-11-25(12-10-19)22(26)15-17-7-8-20(28-2)21(14-17)29-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyNHUANXVETKOPSR-UHFFFAOYSA-N
XLogP2.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551562
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558608
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043589
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108567341
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide (CID 108555406) is N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide is COc1ccc(CC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide?
The InChIKey is NHUANXVETKOPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-5-4-6-18(13-16)23(27)24-19-9-11-25(12-10-19)22(26)15-17-7-8-20(28-2)21(14-17)29-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide?
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 108555406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).