[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone

C18H18N4O — CID 71934250

IUPAC[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C18H18N4O/c23-18(15-5-1-7-17-14(15)6-2-9-19-17)22-11-3-4-13(12-22)16-8-10-20-21-16/h1-2,5-10,13H,3-4,11-12H2,(H,20,21)
InChIKeyFMTXLAIIXGEMMH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.98
Rot. Bonds2

About [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 71934250) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
PubChem CID71934250
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C18H18N4O/c23-18(15-5-1-7-17-14(15)6-2-9-19-17)22-11-3-4-13(12-22)16-8-10-20-21-16/h1-2,5-10,13H,3-4,11-12H2,(H,20,21)
InChIKeyFMTXLAIIXGEMMH-UHFFFAOYSA-N
XLogP2.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
CID 125002735
[3-(2,2-dimethylpropylamino)-2-methylphenyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126772863
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 99929713
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
6-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70731429

Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone (CID 71934250) is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is FMTXLAIIXGEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(15-5-1-7-17-14(15)6-2-9-19-17)22-11-3-4-13(12-22)16-8-10-20-21-16/h1-2,5-10,13H,3-4,11-12H2,(H,20,21).
What are the key properties of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone?
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 71934250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).