[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate

C34H42N2O4 — CID 155810610

IUPAC[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc(/C(=C(/C)Cc2ccc(OC)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C34H42N2O4/c1-4-20-35-34(37)40-32-18-12-29(13-19-32)33(26(2)25-27-8-14-30(38-3)15-9-27)28-10-16-31(17-11-28)39-24-23-36-21-6-5-7-22-36/h8-19H,4-7,20-25H2,1-3H3,(H,35,37)/b33-26-
InChIKeySAHWGFMRKJSXJJ-MKFPQRGTSA-N
MW542.72 g/mol
LogP7.12
Rot. Bonds12

About [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate

[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate (PubChem CID 155810610) has the molecular formula C34H42N2O4 and a molecular weight of 542.72 g/mol. Its IUPAC name is [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate
PubChem CID155810610
Molecular FormulaC34H42N2O4
Molecular Weight542.72 g/mol
Exact Mass542.31
IUPAC Name[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc(/C(=C(/C)Cc2ccc(OC)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C34H42N2O4/c1-4-20-35-34(37)40-32-18-12-29(13-19-32)33(26(2)25-27-8-14-30(38-3)15-9-27)28-10-16-31(17-11-28)39-24-23-36-21-6-5-7-22-36/h8-19H,4-7,20-25H2,1-3H3,(H,35,37)/b33-26-
InChIKeySAHWGFMRKJSXJJ-MKFPQRGTSA-N
XLogP7.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.72
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate?
The IUPAC name of [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate (CID 155810610) is [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate.
What is the SMILES notation for [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate?
The canonical SMILES for [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate is CCCNC(=O)Oc1ccc(/C(=C(/C)Cc2ccc(OC)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate?
The InChIKey is SAHWGFMRKJSXJJ-MKFPQRGTSA-N. The full InChI is InChI=1S/C34H42N2O4/c1-4-20-35-34(37)40-32-18-12-29(13-19-32)33(26(2)25-27-8-14-30(38-3)15-9-27)28-10-16-31(17-11-28)39-24-23-36-21-6-5-7-22-36/h8-19H,4-7,20-25H2,1-3H3,(H,35,37)/b33-26-.
What are the key properties of [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate?
[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate has a molecular weight of 542.72 g/mol, XLogP of 7.12, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-propylcarbamate is sourced from PubChem (CID 155810610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).