4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide

C23H31N3O2 — CID 24733760

IUPAC4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Oc2cccc(-c3ccccc3CN(C)C)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-4-24-23(27)26-14-12-20(13-15-26)28-21-10-7-9-18(16-21)22-11-6-5-8-19(22)17-25(2)3/h5-11,16,20H,4,12-15,17H2,1-3H3,(H,24,27)
InChIKeyADUUNHHDYLUFIE-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.99
Rot. Bonds6

About 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide

4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide (PubChem CID 24733760) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide
PubChem CID24733760
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Oc2cccc(-c3ccccc3CN(C)C)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-4-24-23(27)26-14-12-20(13-15-26)28-21-10-7-9-18(16-21)22-11-6-5-8-19(22)17-25(2)3/h5-11,16,20H,4,12-15,17H2,1-3H3,(H,24,27)
InChIKeyADUUNHHDYLUFIE-UHFFFAOYSA-N
XLogP3.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide (CID 24733760) is 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(Oc2cccc(-c3ccccc3CN(C)C)c2)CC1.
What is the InChIKey of 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide?
The InChIKey is ADUUNHHDYLUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-24-23(27)26-14-12-20(13-15-26)28-21-10-7-9-18(16-21)22-11-6-5-8-19(22)17-25(2)3/h5-11,16,20H,4,12-15,17H2,1-3H3,(H,24,27).
What are the key properties of 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide?
4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 24733760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).