(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C17H24N2O2 — CID 170372559

IUPAC(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCC1(O)CC(C(=O)N2CCC(Cc3cccnc3)CC2)C1
InChIInChI=1S/C17H24N2O2/c1-17(21)10-15(11-17)16(20)19-7-4-13(5-8-19)9-14-3-2-6-18-12-14/h2-3,6,12-13,15,21H,4-5,7-11H2,1H3
InChIKeyQTFOKYZODQEHKN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.02
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 170372559) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID170372559
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCC1(O)CC(C(=O)N2CCC(Cc3cccnc3)CC2)C1
InChIInChI=1S/C17H24N2O2/c1-17(21)10-15(11-17)16(20)19-7-4-13(5-8-19)9-14-3-2-6-18-12-14/h2-3,6,12-13,15,21H,4-5,7-11H2,1H3
InChIKeyQTFOKYZODQEHKN-UHFFFAOYSA-N
XLogP2.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 126428390
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 126435090
[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 170373442
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-(2-aminoethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154909016
[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154911472
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 170372559) is (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is CC1(O)CC(C(=O)N2CCC(Cc3cccnc3)CC2)C1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is QTFOKYZODQEHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(21)10-15(11-17)16(20)19-7-4-13(5-8-19)9-14-3-2-6-18-12-14/h2-3,6,12-13,15,21H,4-5,7-11H2,1H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 170372559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).