1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C22H35N3O4 — CID 3912331

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(OC)c1
InChIInChI=1S/C22H35N3O4/c1-27-20-5-4-19(21(16-20)28-2)17-25-10-6-18(7-11-25)22(26)23-8-3-9-24-12-14-29-15-13-24/h4-5,16,18H,3,6-15,17H2,1-2H3,(H,23,26)
InChIKeyKHKIFGBSGVAEJO-UHFFFAOYSA-N
MW405.54 g/mol
LogP1.75
Rot. Bonds9

About 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 3912331) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID3912331
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(OC)c1
InChIInChI=1S/C22H35N3O4/c1-27-20-5-4-19(21(16-20)28-2)17-25-10-6-18(7-11-25)22(26)23-8-3-9-24-12-14-29-15-13-24/h4-5,16,18H,3,6-15,17H2,1-2H3,(H,23,26)
InChIKeyKHKIFGBSGVAEJO-UHFFFAOYSA-N
XLogP1.75
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 3912331) is 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is KHKIFGBSGVAEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-27-20-5-4-19(21(16-20)28-2)17-25-10-6-18(7-11-25)22(26)23-8-3-9-24-12-14-29-15-13-24/h4-5,16,18H,3,6-15,17H2,1-2H3,(H,23,26).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3912331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).