N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide

C25H34N4O3 — CID 55648199

IUPACN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(NC(=O)NC(C)C)c2)N2CCCCC2)cc1
InChIInChI=1S/C25H34N4O3/c1-18(2)27-25(31)28-21-9-7-8-20(16-21)24(30)26-17-23(29-14-5-4-6-15-29)19-10-12-22(32-3)13-11-19/h7-13,16,18,23H,4-6,14-15,17H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyCUQJKTUUAUAOSJ-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.18
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55648199) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55648199
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(NC(=O)NC(C)C)c2)N2CCCCC2)cc1
InChIInChI=1S/C25H34N4O3/c1-18(2)27-25(31)28-21-9-7-8-20(16-21)24(30)26-17-23(29-14-5-4-6-15-29)19-10-12-22(32-3)13-11-19/h7-13,16,18,23H,4-6,14-15,17H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyCUQJKTUUAUAOSJ-UHFFFAOYSA-N
XLogP4.18
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 55648199) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide is COc1ccc(C(CNC(=O)c2cccc(NC(=O)NC(C)C)c2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is CUQJKTUUAUAOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-18(2)27-25(31)28-21-9-7-8-20(16-21)24(30)26-17-23(29-14-5-4-6-15-29)19-10-12-22(32-3)13-11-19/h7-13,16,18,23H,4-6,14-15,17H2,1-3H3,(H,26,30)(H2,27,28,31).
What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 438.57 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55648199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).