N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide

C21H32N2O2 — CID 75494559

IUPACN-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide
SMILESCN1CCCC(CNC(=O)CCC2CCCOC2)C1c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-23-13-5-10-19(21(23)18-8-3-2-4-9-18)15-22-20(24)12-11-17-7-6-14-25-16-17/h2-4,8-9,17,19,21H,5-7,10-16H2,1H3,(H,22,24)
InChIKeyNWAMJDUHOFZSEO-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.39
Rot. Bonds6

About N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide

N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide (PubChem CID 75494559) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide
PubChem CID75494559
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide
SMILESCN1CCCC(CNC(=O)CCC2CCCOC2)C1c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-23-13-5-10-19(21(23)18-8-3-2-4-9-18)15-22-20(24)12-11-17-7-6-14-25-16-17/h2-4,8-9,17,19,21H,5-7,10-16H2,1H3,(H,22,24)
InChIKeyNWAMJDUHOFZSEO-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide?
The IUPAC name of N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide (CID 75494559) is N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide.
What is the SMILES notation for N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide?
The canonical SMILES for N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide is CN1CCCC(CNC(=O)CCC2CCCOC2)C1c1ccccc1.
What is the InChIKey of N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide?
The InChIKey is NWAMJDUHOFZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-23-13-5-10-19(21(23)18-8-3-2-4-9-18)15-22-20(24)12-11-17-7-6-14-25-16-17/h2-4,8-9,17,19,21H,5-7,10-16H2,1H3,(H,22,24).
What are the key properties of N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide?
N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]-3-(oxan-3-yl)propanamide is sourced from PubChem (CID 75494559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).