[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone

C25H28N4O2 — CID 90617379

IUPAC[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C25H28N4O2/c30-25(24-6-5-19-3-1-2-4-23(19)27-24)29-15-9-20(10-16-29)28-17-11-22(12-18-28)31-21-7-13-26-14-8-21/h1-8,13-14,20,22H,9-12,15-18H2
InChIKeyFDVZAFDCMPWLJZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.78
Rot. Bonds4

About [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone

[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 90617379) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID90617379
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C25H28N4O2/c30-25(24-6-5-19-3-1-2-4-23(19)27-24)29-15-9-20(10-16-29)28-17-11-22(12-18-28)31-21-7-13-26-14-8-21/h1-8,13-14,20,22H,9-12,15-18H2
InChIKeyFDVZAFDCMPWLJZ-UHFFFAOYSA-N
XLogP3.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617145
methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
CID 90617337
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
(2-methylsulfanylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617133
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
3-phenylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617160
1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 90617112

Frequently Asked Questions

What is the IUPAC name of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone (CID 90617379) is [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is FDVZAFDCMPWLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-25(24-6-5-19-3-1-2-4-23(19)27-24)29-15-9-20(10-16-29)28-17-11-22(12-18-28)31-21-7-13-26-14-8-21/h1-8,13-14,20,22H,9-12,15-18H2.
What are the key properties of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone?
[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 416.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 90617379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).