(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide

C17H24F2N2O3 — CID 98761137

IUPAC(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](CCO)C1
InChIInChI=1S/C17H24F2N2O3/c1-12(21-9-2-3-13(11-21)8-10-22)16(23)20-14-4-6-15(7-5-14)24-17(18)19/h4-7,12-13,17,22H,2-3,8-11H2,1H3,(H,20,23)/t12-,13+/m1/s1
InChIKeyVLHILJBKUZGORC-OLZOCXBDSA-N
MW342.39 g/mol
LogP2.71
Rot. Bonds7

About (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide

(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide (PubChem CID 98761137) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
PubChem CID98761137
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](CCO)C1
InChIInChI=1S/C17H24F2N2O3/c1-12(21-9-2-3-13(11-21)8-10-22)16(23)20-14-4-6-15(7-5-14)24-17(18)19/h4-7,12-13,17,22H,2-3,8-11H2,1H3,(H,20,23)/t12-,13+/m1/s1
InChIKeyVLHILJBKUZGORC-OLZOCXBDSA-N
XLogP2.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114132
N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797242
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031
3-[1-[1-(4-chloroanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101314
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
N-[4-(difluoromethoxy)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 86932277
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110877849

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide (CID 98761137) is (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](CCO)C1.
What is the InChIKey of (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide?
The InChIKey is VLHILJBKUZGORC-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-12(21-9-2-3-13(11-21)8-10-22)16(23)20-14-4-6-15(7-5-14)24-17(18)19/h4-7,12-13,17,22H,2-3,8-11H2,1H3,(H,20,23)/t12-,13+/m1/s1.
What are the key properties of (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide?
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide has a molecular weight of 342.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 98761137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).