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

C16H21N3O2 — CID 115873695

IUPACN-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
SMILESCC1(O)CCCN(CCC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C16H21N3O2/c1-16(21)7-3-8-19(12-16)9-6-15(20)18-14-5-2-4-13(10-14)11-17/h2,4-5,10,21H,3,6-9,12H2,1H3,(H,18,20)
InChIKeyBMPQBQRQBLQKPE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.73
Rot. Bonds4

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

N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide (PubChem CID 115873695) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
PubChem CID115873695
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
SMILESCC1(O)CCCN(CCC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C16H21N3O2/c1-16(21)7-3-8-19(12-16)9-6-15(20)18-14-5-2-4-13(10-14)11-17/h2,4-5,10,21H,3,6-9,12H2,1H3,(H,18,20)
InChIKeyBMPQBQRQBLQKPE-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

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CID 80702946
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CID 28745017
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967
N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103356209
N-(3-cyanophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63609880
N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490825
N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
CID 115667757
N-(3-cyanophenyl)-3-(2-ethylthiomorpholin-4-yl)propanamide
CID 115666984
N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 31996879
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide (CID 115873695) is N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide is CC1(O)CCCN(CCC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide?
The InChIKey is BMPQBQRQBLQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(21)7-3-8-19(12-16)9-6-15(20)18-14-5-2-4-13(10-14)11-17/h2,4-5,10,21H,3,6-9,12H2,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide?
N-(3-cyanophenyl)-3-(3-hydroxy-3-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-(3-hydroxy-3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 115873695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).