3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide

C17H23F2N3O — CID 166259419

IUPAC3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCC1CC(F)(F)C1)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C17H23F2N3O/c18-17(19)10-13(11-17)4-7-16(23)21-14-5-6-15(20-12-14)22-8-2-1-3-9-22/h5-6,12-13H,1-4,7-11H2,(H,21,23)
InChIKeyPWSSQHHEYQJTDX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.84
Rot. Bonds5

About 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide

3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide (PubChem CID 166259419) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
PubChem CID166259419
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCC1CC(F)(F)C1)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C17H23F2N3O/c18-17(19)10-13(11-17)4-7-16(23)21-14-5-6-15(20-12-14)22-8-2-1-3-9-22/h5-6,12-13H,1-4,7-11H2,(H,21,23)
InChIKeyPWSSQHHEYQJTDX-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496
2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 71943578
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide (CID 166259419) is 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide is O=C(CCC1CC(F)(F)C1)Nc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is PWSSQHHEYQJTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O/c18-17(19)10-13(11-17)4-7-16(23)21-14-5-6-15(20-12-14)22-8-2-1-3-9-22/h5-6,12-13H,1-4,7-11H2,(H,21,23).
What are the key properties of 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide?
3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 323.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 166259419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).