N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide

C20H31N3O2 — CID 111783320

IUPACN-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESCN(C)C1CCCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1
InChIInChI=1S/C20H31N3O2/c1-22(2)18-5-3-4-16(14-18)21-20(25)15-6-8-17(9-7-15)23-12-10-19(24)11-13-23/h6-9,16,18-19,24H,3-5,10-14H2,1-2H3,(H,21,25)
InChIKeyQGLLPYBZJLEMDA-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.25
Rot. Bonds4

About N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 111783320) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID111783320
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESCN(C)C1CCCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1
InChIInChI=1S/C20H31N3O2/c1-22(2)18-5-3-4-16(14-18)21-20(25)15-6-8-17(9-7-15)23-12-10-19(24)11-13-23/h6-9,16,18-19,24H,3-5,10-14H2,1-2H3,(H,21,25)
InChIKeyQGLLPYBZJLEMDA-UHFFFAOYSA-N
XLogP2.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 111783320) is N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide is CN(C)C1CCCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1.
What is the InChIKey of N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is QGLLPYBZJLEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22(2)18-5-3-4-16(14-18)21-20(25)15-6-8-17(9-7-15)23-12-10-19(24)11-13-23/h6-9,16,18-19,24H,3-5,10-14H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 111783320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).