N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide

C15H20F2N2O2 — CID 60500653

IUPACN-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N1CCC(CO)CC1
InChIInChI=1S/C15H20F2N2O2/c1-10(19-6-4-11(9-20)5-7-19)15(21)18-12-2-3-13(16)14(17)8-12/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,18,21)
InChIKeyRMCPBSDMVISQCT-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.00
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide

N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 60500653) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID60500653
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N1CCC(CO)CC1
InChIInChI=1S/C15H20F2N2O2/c1-10(19-6-4-11(9-20)5-7-19)15(21)18-12-2-3-13(16)14(17)8-12/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,18,21)
InChIKeyRMCPBSDMVISQCT-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide
CID 60510193
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816261
N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide
CID 86845418
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide
CID 87022050

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide (CID 60500653) is N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(F)c(F)c1)N1CCC(CO)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is RMCPBSDMVISQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(19-6-4-11(9-20)5-7-19)15(21)18-12-2-3-13(16)14(17)8-12/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,18,21).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 298.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 60500653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).