N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide

C21H31FN2O2 — CID 91907766

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCC1CCN(Cc2ccccc2F)CC1)C1CCOCC1
InChIInChI=1S/C21H31FN2O2/c1-16(18-8-12-26-13-9-18)21(25)23-14-17-6-10-24(11-7-17)15-19-4-2-3-5-20(19)22/h2-5,16-18H,6-15H2,1H3,(H,23,25)
InChIKeyONHVNSVGVFJNRY-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.22
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide (PubChem CID 91907766) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide
PubChem CID91907766
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCC1CCN(Cc2ccccc2F)CC1)C1CCOCC1
InChIInChI=1S/C21H31FN2O2/c1-16(18-8-12-26-13-9-18)21(25)23-14-17-6-10-24(11-7-17)15-19-4-2-3-5-20(19)22/h2-5,16-18H,6-15H2,1H3,(H,23,25)
InChIKeyONHVNSVGVFJNRY-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide (CID 91907766) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide is CC(C(=O)NCC1CCN(Cc2ccccc2F)CC1)C1CCOCC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is ONHVNSVGVFJNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-16(18-8-12-26-13-9-18)21(25)23-14-17-6-10-24(11-7-17)15-19-4-2-3-5-20(19)22/h2-5,16-18H,6-15H2,1H3,(H,23,25).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide has a molecular weight of 362.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 91907766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).