pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

C21H21N3O — CID 175652239

IUPACpyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C21H21N3O/c25-21(19-8-1-2-11-22-19)24-13-9-16(10-14-24)15-18-6-3-5-17-7-4-12-23-20(17)18/h1-8,11-12,16H,9-10,13-15H2
InChIKeyIKNDHEPGNYWUKK-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.72
Rot. Bonds3

About pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (PubChem CID 175652239) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
PubChem CID175652239
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Namepyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C21H21N3O/c25-21(19-8-1-2-11-22-19)24-13-9-16(10-14-24)15-18-6-3-5-17-7-4-12-23-20(17)18/h1-8,11-12,16H,9-10,13-15H2
InChIKeyIKNDHEPGNYWUKK-UHFFFAOYSA-N
XLogP3.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 110098814
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(5-methyl-1,3-oxazol-4-yl)-[(4R)-4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 124997008
N-methyl-2-[4-(quinolin-8-ylmethyl)piperidin-1-yl]acetamide
CID 110090460
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124972215
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124963944
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 129457565
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
(4-benzyloxan-4-yl)-[4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 155984339

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (CID 175652239) is pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccccn1)N1CCC(Cc2cccc3cccnc23)CC1.
What is the InChIKey of pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is IKNDHEPGNYWUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(19-8-1-2-11-22-19)24-13-9-16(10-14-24)15-18-6-3-5-17-7-4-12-23-20(17)18/h1-8,11-12,16H,9-10,13-15H2.
What are the key properties of pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175652239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).