N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide

C24H30N2O4 — CID 108551307

IUPACN-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1ccc(CCC(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H30N2O4/c1-29-21-10-8-19(16-22(21)30-2)9-11-24(28)26-14-12-20(13-15-26)25-23(27)17-18-6-4-3-5-7-18/h3-8,10,16,20H,9,11-15,17H2,1-2H3,(H,25,27)
InChIKeyWGDIJJJFIAWNJE-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.99
Rot. Bonds8

About N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 108551307) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID108551307
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1ccc(CCC(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H30N2O4/c1-29-21-10-8-19(16-22(21)30-2)9-11-24(28)26-14-12-20(13-15-26)25-23(27)17-18-6-4-3-5-7-18/h3-8,10,16,20H,9,11-15,17H2,1-2H3,(H,25,27)
InChIKeyWGDIJJJFIAWNJE-UHFFFAOYSA-N
XLogP2.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-3-methylbutanamide
CID 108549572
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554742
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557870
N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556445
benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566561
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide (CID 108551307) is N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide is COc1ccc(CCC(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is WGDIJJJFIAWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-29-21-10-8-19(16-22(21)30-2)9-11-24(28)26-14-12-20(13-15-26)25-23(27)17-18-6-4-3-5-7-18/h3-8,10,16,20H,9,11-15,17H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 410.51 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 108551307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).