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

C16H22F2N2O2 — CID 110911083

IUPACN-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(CC(O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H22F2N2O2/c1-2-16(22)19-12-4-3-7-20(9-12)10-15(21)11-5-6-13(17)14(18)8-11/h5-6,8,12,15,21H,2-4,7,9-10H2,1H3,(H,19,22)
InChIKeyQCSJQIKOAQGBSN-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.99
Rot. Bonds5

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

N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide (PubChem CID 110911083) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
PubChem CID110911083
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(CC(O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H22F2N2O2/c1-2-16(22)19-12-4-3-7-20(9-12)10-15(21)11-5-6-13(17)14(18)8-11/h5-6,8,12,15,21H,2-4,7,9-10H2,1H3,(H,19,22)
InChIKeyQCSJQIKOAQGBSN-UHFFFAOYSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911087
N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
CID 110921581
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 49438404
ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
CID 111476618
(3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 100852698
N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
CID 46527777
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 110892585
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
methyl (2R)-2-(4-fluorophenyl)-2-[(3R)-3-(propanoylamino)piperidin-1-yl]acetate
CID 100838826

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide (CID 110911083) is N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(CC(O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide?
The InChIKey is QCSJQIKOAQGBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-2-16(22)19-12-4-3-7-20(9-12)10-15(21)11-5-6-13(17)14(18)8-11/h5-6,8,12,15,21H,2-4,7,9-10H2,1H3,(H,19,22).
What are the key properties of N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide?
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide has a molecular weight of 312.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 110911083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).