N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide

C25H32N2O5 — CID 24817201

IUPACN-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
SMILESCOc1cc(CN2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)cc(OC)c1
InChIInChI=1S/C25H32N2O5/c1-29-21-12-17(13-22(15-21)30-2)16-27-10-8-20(9-11-27)32-24-14-18(4-7-23(24)31-3)25(28)26-19-5-6-19/h4,7,12-15,19-20H,5-6,8-11,16H2,1-3H3,(H,26,28)
InChIKeyWAYQIWFJOTZTTG-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.65
Rot. Bonds9

About N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide

N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide (PubChem CID 24817201) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
PubChem CID24817201
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
SMILESCOc1cc(CN2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)cc(OC)c1
InChIInChI=1S/C25H32N2O5/c1-29-21-12-17(13-22(15-21)30-2)16-27-10-8-20(9-11-27)32-24-14-18(4-7-23(24)31-3)25(28)26-19-5-6-19/h4,7,12-15,19-20H,5-6,8-11,16H2,1-3H3,(H,26,28)
InChIKeyWAYQIWFJOTZTTG-UHFFFAOYSA-N
XLogP3.65
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide (CID 24817201) is N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide is COc1cc(CN2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)cc(OC)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The InChIKey is WAYQIWFJOTZTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-29-21-12-17(13-22(15-21)30-2)16-27-10-8-20(9-11-27)32-24-14-18(4-7-23(24)31-3)25(28)26-19-5-6-19/h4,7,12-15,19-20H,5-6,8-11,16H2,1-3H3,(H,26,28).
What are the key properties of N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide has a molecular weight of 440.54 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide is sourced from PubChem (CID 24817201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).