N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide

C23H30N4O5 — CID 647186

IUPACN-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide
SMILESCOc1cc(NC(=O)Nc2ccccc2OC)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C23H30N4O5/c1-30-19-10-6-5-9-16(19)25-23(29)26-18-14-20(31-2)17(13-21(18)32-3)24-22(28)15-27-11-7-4-8-12-27/h5-6,9-10,13-14H,4,7-8,11-12,15H2,1-3H3,(H,24,28)(H2,25,26,29)
InChIKeyYOIHETUCSMASLR-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.78
Rot. Bonds8

About N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide

N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 647186) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide
PubChem CID647186
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC NameN-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide
SMILESCOc1cc(NC(=O)Nc2ccccc2OC)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C23H30N4O5/c1-30-19-10-6-5-9-16(19)25-23(29)26-18-14-20(31-2)17(13-21(18)32-3)24-22(28)15-27-11-7-4-8-12-27/h5-6,9-10,13-14H,4,7-8,11-12,15H2,1-3H3,(H,24,28)(H2,25,26,29)
InChIKeyYOIHETUCSMASLR-UHFFFAOYSA-N
XLogP3.78
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide (CID 647186) is N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide is COc1cc(NC(=O)Nc2ccccc2OC)c(OC)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is YOIHETUCSMASLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-30-19-10-6-5-9-16(19)25-23(29)26-18-14-20(31-2)17(13-21(18)32-3)24-22(28)15-27-11-7-4-8-12-27/h5-6,9-10,13-14H,4,7-8,11-12,15H2,1-3H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide?
N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 442.52 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 647186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).