pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

C21H21N3O — CID 124970603

IUPACpyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC(Cc2cccc3ncccc23)CC1
InChIInChI=1S/C21H21N3O/c25-21(17-6-11-22-12-7-17)24-13-8-16(9-14-24)15-18-3-1-5-20-19(18)4-2-10-23-20/h1-7,10-12,16H,8-9,13-15H2
InChIKeyJRDSPRFMXWOVQF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.72
Rot. Bonds3

About pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124970603) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID124970603
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Namepyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC(Cc2cccc3ncccc23)CC1
InChIInChI=1S/C21H21N3O/c25-21(17-6-11-22-12-7-17)24-13-8-16(9-14-24)15-18-3-1-5-20-19(18)4-2-10-23-20/h1-7,10-12,16H,8-9,13-15H2
InChIKeyJRDSPRFMXWOVQF-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

(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090995
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 110111851
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110150380
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (CID 124970603) is pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccncc1)N1CCC(Cc2cccc3ncccc23)CC1.
What is the InChIKey of pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JRDSPRFMXWOVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(17-6-11-22-12-7-17)24-13-8-16(9-14-24)15-18-3-1-5-20-19(18)4-2-10-23-20/h1-7,10-12,16H,8-9,13-15H2.
What are the key properties of pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
pyridin-4-yl-[4-(quinolin-5-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-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124970603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).