4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide

C23H31N3O2 — CID 46965112

IUPAC4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
SMILESCc1ccc(C2(O)CCN(CCNC(=O)c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-18-4-8-20(9-5-18)23(28)12-15-26(16-13-23)17-14-24-22(27)19-6-10-21(11-7-19)25(2)3/h4-11,28H,12-17H2,1-3H3,(H,24,27)
InChIKeyWCSWULQTVZEZCS-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.77
Rot. Bonds6

About 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide

4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 46965112) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
PubChem CID46965112
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
SMILESCc1ccc(C2(O)CCN(CCNC(=O)c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-18-4-8-20(9-5-18)23(28)12-15-26(16-13-23)17-14-24-22(27)19-6-10-21(11-7-19)25(2)3/h4-11,28H,12-17H2,1-3H3,(H,24,27)
InChIKeyWCSWULQTVZEZCS-UHFFFAOYSA-N
XLogP2.77
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-1,3-benzodioxole-5-carboxamide
CID 46965111
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46965137
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965115
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 46965126
2-(2-chlorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965118
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 16673631
N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide
CID 70045573
N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 46965069

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide (CID 46965112) is 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide is Cc1ccc(C2(O)CCN(CCNC(=O)c3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is WCSWULQTVZEZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18-4-8-20(9-5-18)23(28)12-15-26(16-13-23)17-14-24-22(27)19-6-10-21(11-7-19)25(2)3/h4-11,28H,12-17H2,1-3H3,(H,24,27).
What are the key properties of 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide?
4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 46965112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).