N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide

C21H27N3O4 — CID 175721595

IUPACN,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
SMILESCOc1cc(COc2cccc(C3CCNCC3)n2)ccc1C(=O)N(C)OC
InChIInChI=1S/C21H27N3O4/c1-24(27-3)21(25)17-8-7-15(13-19(17)26-2)14-28-20-6-4-5-18(23-20)16-9-11-22-12-10-16/h4-8,13,16,22H,9-12,14H2,1-3H3
InChIKeyPXZXWUBCMJPEBP-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.77
Rot. Bonds7

About N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide

N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide (PubChem CID 175721595) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide.

Molecular Properties

Compound NameN,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
PubChem CID175721595
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
SMILESCOc1cc(COc2cccc(C3CCNCC3)n2)ccc1C(=O)N(C)OC
InChIInChI=1S/C21H27N3O4/c1-24(27-3)21(25)17-8-7-15(13-19(17)26-2)14-28-20-6-4-5-18(23-20)16-9-11-22-12-10-16/h4-8,13,16,22H,9-12,14H2,1-3H3
InChIKeyPXZXWUBCMJPEBP-UHFFFAOYSA-N
XLogP2.77
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide?
The IUPAC name of N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide (CID 175721595) is N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide.
What is the SMILES notation for N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide?
The canonical SMILES for N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide is COc1cc(COc2cccc(C3CCNCC3)n2)ccc1C(=O)N(C)OC.
What is the InChIKey of N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide?
The InChIKey is PXZXWUBCMJPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-24(27-3)21(25)17-8-7-15(13-19(17)26-2)14-28-20-6-4-5-18(23-20)16-9-11-22-12-10-16/h4-8,13,16,22H,9-12,14H2,1-3H3.
What are the key properties of N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide?
N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide is sourced from PubChem (CID 175721595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).