[(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone

C20H23N5O — CID 95111399

IUPAC[(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCCCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C20H23N5O/c1-2-10-25-14-22-23-19(25)17-6-4-11-24(13-17)20(26)16-7-8-18-15(12-16)5-3-9-21-18/h3,5,7-9,12,14,17H,2,4,6,10-11,13H2,1H3/t17-/m1/s1
InChIKeyCINDOWOKUCVYKE-QGZVFWFLSA-N
MW349.44 g/mol
LogP3.26
Rot. Bonds4

About [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone

[(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 95111399) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID95111399
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCCCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C20H23N5O/c1-2-10-25-14-22-23-19(25)17-6-4-11-24(13-17)20(26)16-7-8-18-15(12-16)5-3-9-21-18/h3,5,7-9,12,14,17H,2,4,6,10-11,13H2,1H3/t17-/m1/s1
InChIKeyCINDOWOKUCVYKE-QGZVFWFLSA-N
XLogP3.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(3-fluoro-4-methylphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192778
[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110104793
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
(2-bromo-4-pyridinyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 103754456
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164
quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129453468
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 86935421
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone (CID 95111399) is [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone is CCCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is CINDOWOKUCVYKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-10-25-14-22-23-19(25)17-6-4-11-24(13-17)20(26)16-7-8-18-15(12-16)5-3-9-21-18/h3,5,7-9,12,14,17H,2,4,6,10-11,13H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
[(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 349.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 95111399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).