3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide

C20H32N2O2 — CID 110025007

IUPAC3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
SMILESCC1CCCN(C(C)(C)CNC(=O)CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C20H32N2O2/c1-16-9-8-12-22(14-16)19(2,3)15-21-18(23)13-20(4,24)17-10-6-5-7-11-17/h5-7,10-11,16,24H,8-9,12-15H2,1-4H3,(H,21,23)
InChIKeyIJZQSUPIWUVSAS-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.91
Rot. Bonds6

About 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide

3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide (PubChem CID 110025007) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
PubChem CID110025007
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
SMILESCC1CCCN(C(C)(C)CNC(=O)CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C20H32N2O2/c1-16-9-8-12-22(14-16)19(2,3)15-21-18(23)13-20(4,24)17-10-6-5-7-11-17/h5-7,10-11,16,24H,8-9,12-15H2,1-4H3,(H,21,23)
InChIKeyIJZQSUPIWUVSAS-UHFFFAOYSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 120612697
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60568645
methyl (2S)-2-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropanoate
CID 97034679
3-(3-methoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 60568816
2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120596832
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60568818
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 60568591
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide (CID 110025007) is 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide is CC1CCCN(C(C)(C)CNC(=O)CC(C)(O)c2ccccc2)C1.
What is the InChIKey of 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide?
The InChIKey is IJZQSUPIWUVSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16-9-8-12-22(14-16)19(2,3)15-21-18(23)13-20(4,24)17-10-6-5-7-11-17/h5-7,10-11,16,24H,8-9,12-15H2,1-4H3,(H,21,23).
What are the key properties of 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide?
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide has a molecular weight of 332.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide is sourced from PubChem (CID 110025007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).