4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide

C16H24N2O2 — CID 111911911

IUPAC4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)17(3)16(20)13-4-6-14(7-5-13)18-10-8-15(19)9-11-18/h4-7,12,15,19H,8-11H2,1-3H3
InChIKeyBAYLWVOWOJSQIK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds3

About 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide

4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide (PubChem CID 111911911) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide
PubChem CID111911911
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)17(3)16(20)13-4-6-14(7-5-13)18-10-8-15(19)9-11-18/h4-7,12,15,19H,8-11H2,1-3H3
InChIKeyBAYLWVOWOJSQIK-UHFFFAOYSA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
CID 111464498
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 111464649
N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111538804
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71866658
N,N-dimethyl-4-[4-(1-phenylpiperidin-4-yl)piperidin-1-yl]benzamide
CID 140931570
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
2-[[4-(4-ethylpiperazin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119359026
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388
tert-butyl 4-(4-hydroxypiperidin-1-yl)benzoate;ethane
CID 156645380

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide (CID 111911911) is 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is BAYLWVOWOJSQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)17(3)16(20)13-4-6-14(7-5-13)18-10-8-15(19)9-11-18/h4-7,12,15,19H,8-11H2,1-3H3.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide?
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.13, 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-propan-2-ylbenzamide is sourced from PubChem (CID 111911911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).