3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide

C23H31N3O2 — CID 146223838

IUPAC3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide
SMILESCN(C)CC1CN(CCc2ccccc2)CCC1(O)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H31N3O2/c1-25(2)16-21-17-26(13-11-18-7-4-3-5-8-18)14-12-23(21,28)20-10-6-9-19(15-20)22(24)27/h3-10,15,21,28H,11-14,16-17H2,1-2H3,(H2,24,27)
InChIKeySRGSCTCALJARLU-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.10
Rot. Bonds7

About 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide

3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide (PubChem CID 146223838) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide
PubChem CID146223838
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide
SMILESCN(C)CC1CN(CCc2ccccc2)CCC1(O)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H31N3O2/c1-25(2)16-21-17-26(13-11-18-7-4-3-5-8-18)14-12-23(21,28)20-10-6-9-19(15-20)22(24)27/h3-10,15,21,28H,11-14,16-17H2,1-2H3,(H2,24,27)
InChIKeySRGSCTCALJARLU-UHFFFAOYSA-N
XLogP2.10
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide (CID 146223838) is 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide is CN(C)CC1CN(CCc2ccccc2)CCC1(O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide?
The InChIKey is SRGSCTCALJARLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-25(2)16-21-17-26(13-11-18-7-4-3-5-8-18)14-12-23(21,28)20-10-6-9-19(15-20)22(24)27/h3-10,15,21,28H,11-14,16-17H2,1-2H3,(H2,24,27).
What are the key properties of 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide?
3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 146223838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).