(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

C22H23N3O2 — CID 125000469

IUPAC(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)C1
InChIInChI=1S/C22H23N3O2/c1-27-21-19(10-4-12-24-21)22(26)25-13-5-6-16(15-25)14-18-8-2-7-17-9-3-11-23-20(17)18/h2-4,7-12,16H,5-6,13-15H2,1H3/t16-/m0/s1
InChIKeyRVXJQHRXAWEMPY-INIZCTEOSA-N
MW361.45 g/mol
LogP3.73
Rot. Bonds4

About (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (PubChem CID 125000469) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
PubChem CID125000469
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)C1
InChIInChI=1S/C22H23N3O2/c1-27-21-19(10-4-12-24-21)22(26)25-13-5-6-16(15-25)14-18-8-2-7-17-9-3-11-23-20(17)18/h2-4,7-12,16H,5-6,13-15H2,1H3/t16-/m0/s1
InChIKeyRVXJQHRXAWEMPY-INIZCTEOSA-N
XLogP3.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124963944
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124972215
1-methyl-N-[2-[(3S)-3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenyl]pyrazole-3-carboxamide
CID 129460009
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
3-[[(3S)-1-(2-methoxypyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95727206
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
[(6S)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 124949194
N-[[1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 72870229
(2-methoxy-5-piperidin-1-ylphenyl)-[(6R)-6-(quinolin-8-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124968486

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (CID 125000469) is (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is COc1ncccc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)C1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RVXJQHRXAWEMPY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-21-19(10-4-12-24-21)22(26)25-13-5-6-16(15-25)14-18-8-2-7-17-9-3-11-23-20(17)18/h2-4,7-12,16H,5-6,13-15H2,1H3/t16-/m0/s1.
What are the key properties of (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125000469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).