[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone

C21H26FN3O2 — CID 45232084

IUPAC[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(N(C)Cc3ccc(F)cc3)nc2)C1
InChIInChI=1S/C21H26FN3O2/c1-24(13-16-5-8-19(22)9-6-16)20-10-7-18(12-23-20)21(26)25-11-3-4-17(14-25)15-27-2/h5-10,12,17H,3-4,11,13-15H2,1-2H3
InChIKeyBHKMIOLULUKJKZ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.36
Rot. Bonds6

About [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone

[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 45232084) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID45232084
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(N(C)Cc3ccc(F)cc3)nc2)C1
InChIInChI=1S/C21H26FN3O2/c1-24(13-16-5-8-19(22)9-6-16)20-10-7-18(12-23-20)21(26)25-11-3-4-17(14-25)15-27-2/h5-10,12,17H,3-4,11,13-15H2,1-2H3
InChIKeyBHKMIOLULUKJKZ-UHFFFAOYSA-N
XLogP3.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone
CID 45231295
[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 95200791
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
1-(4-fluorophenyl)-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridin-2-one
CID 71975351
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 95188150
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674

Frequently Asked Questions

What is the IUPAC name of [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 45232084) is [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2ccc(N(C)Cc3ccc(F)cc3)nc2)C1.
What is the InChIKey of [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is BHKMIOLULUKJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-24(13-16-5-8-19(22)9-6-16)20-10-7-18(12-23-20)21(26)25-11-3-4-17(14-25)15-27-2/h5-10,12,17H,3-4,11,13-15H2,1-2H3.
What are the key properties of [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45232084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).