N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

C17H24F2N2O3 — CID 111114132

IUPACN-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C17H24F2N2O3/c1-11(21-9-7-13(8-10-21)12(2)22)16(23)20-14-3-5-15(6-4-14)24-17(18)19/h3-6,11-13,17,22H,7-10H2,1-2H3,(H,20,23)
InChIKeyIFXMPGHFCPHJDN-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.71
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (PubChem CID 111114132) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
PubChem CID111114132
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C17H24F2N2O3/c1-11(21-9-7-13(8-10-21)12(2)22)16(23)20-14-3-5-15(6-4-14)24-17(18)19/h3-6,11-13,17,22H,7-10H2,1-2H3,(H,20,23)
InChIKeyIFXMPGHFCPHJDN-UHFFFAOYSA-N
XLogP2.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019
N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 42891150
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137
N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113847
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
CID 100611911
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 46632003
N-[4-(difluoromethoxy)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 86932277
1-[1-[4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122121672
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
CID 42927395
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (CID 111114132) is N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is CC(O)C1CCN(C(C)C(=O)Nc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The InChIKey is IFXMPGHFCPHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-11(21-9-7-13(8-10-21)12(2)22)16(23)20-14-3-5-15(6-4-14)24-17(18)19/h3-6,11-13,17,22H,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide has a molecular weight of 342.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 111114132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).