N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C22H26N2O4 — CID 46965111

IUPACN-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C2(O)CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-16-2-5-18(6-3-16)22(26)8-11-24(12-9-22)13-10-23-21(25)17-4-7-19-20(14-17)28-15-27-19/h2-7,14,26H,8-13,15H2,1H3,(H,23,25)
InChIKeyWRQDXPLRRHDHOD-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 46965111) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID46965111
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C2(O)CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-16-2-5-18(6-3-16)22(26)8-11-24(12-9-22)13-10-23-21(25)17-4-7-19-20(14-17)28-15-27-19/h2-7,14,26H,8-13,15H2,1H3,(H,23,25)
InChIKeyWRQDXPLRRHDHOD-UHFFFAOYSA-N
XLogP2.44
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
CID 46965112
4-ethoxy-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
CID 46965108
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46965137
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42266252
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[4-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]butyl]-4-[(4-chlorobenzoyl)amino]benzamide
CID 44532406
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-(2-morpholin-4-ylethyl)spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100605642
N-[2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 41133523
N-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;dihydrochloride
CID 139726497
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 16673631
N-[2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 44962346

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 46965111) is N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc(C2(O)CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WRQDXPLRRHDHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16-2-5-18(6-3-16)22(26)8-11-24(12-9-22)13-10-23-21(25)17-4-7-19-20(14-17)28-15-27-19/h2-7,14,26H,8-13,15H2,1H3,(H,23,25).
What are the key properties of N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46965111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).