N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide

C22H33N3O4 — CID 644523

IUPACN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide
SMILESCOc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C22H33N3O4/c1-28-19-14-18(24-22(27)16-9-5-3-6-10-16)20(29-2)13-17(19)23-21(26)15-25-11-7-4-8-12-25/h13-14,16H,3-12,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyHMFFVWRCJXWGGT-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.65
Rot. Bonds7

About N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide

N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide (PubChem CID 644523) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide
PubChem CID644523
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide
SMILESCOc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C22H33N3O4/c1-28-19-14-18(24-22(27)16-9-5-3-6-10-16)20(29-2)13-17(19)23-21(26)15-25-11-7-4-8-12-25/h13-14,16H,3-12,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyHMFFVWRCJXWGGT-UHFFFAOYSA-N
XLogP3.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide (CID 644523) is N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide is COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide?
The InChIKey is HMFFVWRCJXWGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-28-19-14-18(24-22(27)16-9-5-3-6-10-16)20(29-2)13-17(19)23-21(26)15-25-11-7-4-8-12-25/h13-14,16H,3-12,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide?
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 644523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).