[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone

C19H24N2O2 — CID 96579719

IUPAC[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C19H24N2O2/c1-23-13-5-8-17-7-2-3-12-21(17)19(22)16-9-10-18-15(14-16)6-4-11-20-18/h4,6,9-11,14,17H,2-3,5,7-8,12-13H2,1H3/t17-/m1/s1
InChIKeyWKOSTMNSLRRDED-QGZVFWFLSA-N
MW312.41 g/mol
LogP3.66
Rot. Bonds5

About [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone

[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 96579719) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID96579719
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C19H24N2O2/c1-23-13-5-8-17-7-2-3-12-21(17)19(22)16-9-10-18-15(14-16)6-4-11-20-18/h4,6,9-11,14,17H,2-3,5,7-8,12-13H2,1H3/t17-/m1/s1
InChIKeyWKOSTMNSLRRDED-QGZVFWFLSA-N
XLogP3.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 63753376
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923129

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone (CID 96579719) is [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone is COCCC[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is WKOSTMNSLRRDED-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-13-5-8-17-7-2-3-12-21(17)19(22)16-9-10-18-15(14-16)6-4-11-20-18/h4,6,9-11,14,17H,2-3,5,7-8,12-13H2,1H3/t17-/m1/s1.
What are the key properties of [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone?
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 312.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 96579719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).