(4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

C23H29F2N3O2 — CID 67317576

IUPAC(4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cccc(OCCCN3CCCCC3)c2n1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H29F2N3O2/c24-23(25)10-15-28(16-11-23)22(29)19-9-8-18-6-4-7-20(21(18)26-19)30-17-5-14-27-12-2-1-3-13-27/h4,6-9H,1-3,5,10-17H2
InChIKeyHTPWKASQWDRGAN-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.36
Rot. Bonds6

About (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (PubChem CID 67317576) has the molecular formula C23H29F2N3O2 and a molecular weight of 417.50 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
PubChem CID67317576
Molecular FormulaC23H29F2N3O2
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Name(4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cccc(OCCCN3CCCCC3)c2n1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H29F2N3O2/c24-23(25)10-15-28(16-11-23)22(29)19-9-8-18-6-4-7-20(21(18)26-19)30-17-5-14-27-12-2-1-3-13-27/h4,6-9H,1-3,5,10-17H2
InChIKeyHTPWKASQWDRGAN-UHFFFAOYSA-N
XLogP4.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 67317423
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
N-tert-butyl-1-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanimine oxide
CID 169323667
morpholin-4-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11516523
(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11539264
1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946
(4,4-difluoropiperidin-1-yl)-[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanone
CID 90685177
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
4-(3-pyrrolidin-1-ylpropoxy)-1,3-benzothiazol-2-amine
CID 175835761

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (CID 67317576) is (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is O=C(c1ccc2cccc(OCCCN3CCCCC3)c2n1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The InChIKey is HTPWKASQWDRGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2/c24-23(25)10-15-28(16-11-23)22(29)19-9-8-18-6-4-7-20(21(18)26-19)30-17-5-14-27-12-2-1-3-13-27/h4,6-9H,1-3,5,10-17H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone has a molecular weight of 417.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is sourced from PubChem (CID 67317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).