3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide

C25H32N2O4 — CID 55950107

IUPAC3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)cc1OC
InChIInChI=1S/C25H32N2O4/c1-4-16-31-23-13-12-19(17-24(23)30-3)25(28)26-18-21(27-14-8-5-9-15-27)20-10-6-7-11-22(20)29-2/h4,6-7,10-13,17,21H,1,5,8-9,14-16,18H2,2-3H3,(H,26,28)
InChIKeyHQVKQXVNNMLAGD-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.23
Rot. Bonds10

About 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide

3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide (PubChem CID 55950107) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
PubChem CID55950107
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)cc1OC
InChIInChI=1S/C25H32N2O4/c1-4-16-31-23-13-12-19(17-24(23)30-3)25(28)26-18-21(27-14-8-5-9-15-27)20-10-6-7-11-22(20)29-2/h4,6-7,10-13,17,21H,1,5,8-9,14-16,18H2,2-3H3,(H,26,28)
InChIKeyHQVKQXVNNMLAGD-UHFFFAOYSA-N
XLogP4.23
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 55950743

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide (CID 55950107) is 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)cc1OC.
What is the InChIKey of 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide?
The InChIKey is HQVKQXVNNMLAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-16-31-23-13-12-19(17-24(23)30-3)25(28)26-18-21(27-14-8-5-9-15-27)20-10-6-7-11-22(20)29-2/h4,6-7,10-13,17,21H,1,5,8-9,14-16,18H2,2-3H3,(H,26,28).
What are the key properties of 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide?
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide has a molecular weight of 424.54 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 55950107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).