N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide

C16H22F2N2O3 — CID 110880153

IUPACN-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N1CCCC(CO)C1
InChIInChI=1S/C16H22F2N2O3/c1-11(20-8-4-5-12(9-20)10-21)15(22)19-13-6-2-3-7-14(13)23-16(17)18/h2-3,6-7,11-12,16,21H,4-5,8-10H2,1H3,(H,19,22)
InChIKeyLKEVJZPGBJRPJZ-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide

N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 110880153) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID110880153
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N1CCCC(CO)C1
InChIInChI=1S/C16H22F2N2O3/c1-11(20-8-4-5-12(9-20)10-21)15(22)19-13-6-2-3-7-14(13)23-16(17)18/h2-3,6-7,11-12,16,21H,4-5,8-10H2,1H3,(H,19,22)
InChIKeyLKEVJZPGBJRPJZ-UHFFFAOYSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 111543811
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
N-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880134
(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275560
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide (CID 110880153) is N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccccc1OC(F)F)N1CCCC(CO)C1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is LKEVJZPGBJRPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-11(20-8-4-5-12(9-20)10-21)15(22)19-13-6-2-3-7-14(13)23-16(17)18/h2-3,6-7,11-12,16,21H,4-5,8-10H2,1H3,(H,19,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 328.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 110880153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).