N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C17H25ClF2N2O2 — CID 119814484

IUPACN-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1OCC(F)F)C1CCNCC1.Cl
InChIInChI=1S/C17H24F2N2O2.ClH/c1-12(13-6-8-20-9-7-13)10-17(22)21-14-4-2-3-5-15(14)23-11-16(18)19;/h2-5,12-13,16,20H,6-11H2,1H3,(H,21,22);1H
InChIKeyPWPSLMWPMSBULQ-UHFFFAOYSA-N
MW362.85 g/mol
LogP3.72
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119814484) has the molecular formula C17H25ClF2N2O2 and a molecular weight of 362.85 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119814484
Molecular FormulaC17H25ClF2N2O2
Molecular Weight362.85 g/mol
Exact Mass362.16
IUPAC NameN-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1OCC(F)F)C1CCNCC1.Cl
InChIInChI=1S/C17H24F2N2O2.ClH/c1-12(13-6-8-20-9-7-13)10-17(22)21-14-4-2-3-5-15(14)23-11-16(18)19;/h2-5,12-13,16,20H,6-11H2,1H3,(H,21,22);1H
InChIKeyPWPSLMWPMSBULQ-UHFFFAOYSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119814484) is N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccccc1OCC(F)F)C1CCNCC1.Cl.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is PWPSLMWPMSBULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2.ClH/c1-12(13-6-8-20-9-7-13)10-17(22)21-14-4-2-3-5-15(14)23-11-16(18)19;/h2-5,12-13,16,20H,6-11H2,1H3,(H,21,22);1H.
What are the key properties of N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 362.85 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119814484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).