3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide

C10H18F2N2O2 — CID 103206351

IUPAC3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
SMILESO=C(CCOCC(F)F)NC1CCCNC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)7-16-5-3-10(15)14-8-2-1-4-13-6-8/h8-9,13H,1-7H2,(H,14,15)
InChIKeyIMXKHNDEYHQDTL-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.53
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide

3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide (PubChem CID 103206351) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
PubChem CID103206351
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
SMILESO=C(CCOCC(F)F)NC1CCCNC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)7-16-5-3-10(15)14-8-2-1-4-13-6-8/h8-9,13H,1-7H2,(H,14,15)
InChIKeyIMXKHNDEYHQDTL-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide
CID 103206939
3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide
CID 107585066
N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 105061008
N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
CID 103866535
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
CID 103206367
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
N-piperidin-3-ylpropanamide
CID 3520588
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide (CID 103206351) is 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide is O=C(CCOCC(F)F)NC1CCCNC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide?
The InChIKey is IMXKHNDEYHQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-9(12)7-16-5-3-10(15)14-8-2-1-4-13-6-8/h8-9,13H,1-7H2,(H,14,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide?
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide has a molecular weight of 236.26 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 103206351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).