4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide

C19H22N2O2 — CID 111331488

IUPAC4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(N2CCC(O)CC2)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-20(16-5-3-2-4-6-16)19(23)15-7-9-17(10-8-15)21-13-11-18(22)12-14-21/h2-10,18,22H,11-14H2,1H3
InChIKeyXTSFHQIRTCCQCM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.92
Rot. Bonds3

About 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide

4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide (PubChem CID 111331488) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
PubChem CID111331488
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(N2CCC(O)CC2)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-20(16-5-3-2-4-6-16)19(23)15-7-9-17(10-8-15)21-13-11-18(22)12-14-21/h2-10,18,22H,11-14H2,1H3
InChIKeyXTSFHQIRTCCQCM-UHFFFAOYSA-N
XLogP2.92
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide (CID 111331488) is 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)c1ccccc1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide?
The InChIKey is XTSFHQIRTCCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20(16-5-3-2-4-6-16)19(23)15-7-9-17(10-8-15)21-13-11-18(22)12-14-21/h2-10,18,22H,11-14H2,1H3.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide?
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 111331488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).