N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide

C16H21N3O2 — CID 80702946

IUPACN-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1(O)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H21N3O2/c1-16(21)6-9-19(10-7-16)8-5-15(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,21H,5-10H2,1H3,(H,18,20)
InChIKeyHXTXHYBCMAEFLB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.73
Rot. Bonds4

About N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide

N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 80702946) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID80702946
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1(O)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H21N3O2/c1-16(21)6-9-19(10-7-16)8-5-15(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,21H,5-10H2,1H3,(H,18,20)
InChIKeyHXTXHYBCMAEFLB-UHFFFAOYSA-N
XLogP1.73
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115873695
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N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
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N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
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CID 62490825
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CID 115667757
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CID 63609880
N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
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CID 126824314

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 80702946) is N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide is CC1(O)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is HXTXHYBCMAEFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(21)6-9-19(10-7-16)8-5-15(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,21H,5-10H2,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 80702946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).