4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide

C17H26N2O2 — CID 102959899

IUPAC4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCN2CCC(C)C(O)C2)c1
InChIInChI=1S/C17H26N2O2/c1-13-5-3-6-15(11-13)18-17(21)7-4-9-19-10-8-14(2)16(20)12-19/h3,5-6,11,14,16,20H,4,7-10,12H2,1-2H3,(H,18,21)
InChIKeyDDMFBWASPJZXER-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds5

About 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide

4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide (PubChem CID 102959899) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
PubChem CID102959899
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCN2CCC(C)C(O)C2)c1
InChIInChI=1S/C17H26N2O2/c1-13-5-3-6-15(11-13)18-17(21)7-4-9-19-10-8-14(2)16(20)12-19/h3,5-6,11,14,16,20H,4,7-10,12H2,1-2H3,(H,18,21)
InChIKeyDDMFBWASPJZXER-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxy-3-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
CID 114681479
4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
CID 62546343
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
ethyl (3S)-1-[3-(3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 739964
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606
N-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898555
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide (CID 102959899) is 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide is Cc1cccc(NC(=O)CCCN2CCC(C)C(O)C2)c1.
What is the InChIKey of 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide?
The InChIKey is DDMFBWASPJZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-3-6-15(11-13)18-17(21)7-4-9-19-10-8-14(2)16(20)12-19/h3,5-6,11,14,16,20H,4,7-10,12H2,1-2H3,(H,18,21).
What are the key properties of 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide?
4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 102959899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).