(4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone

C18H32N2O2 — CID 177010647

IUPAC(4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone
SMILESCC(C)C1CCN(C2CC(C(=O)N3CCC(O)CC3)C2)CC1
InChIInChI=1S/C18H32N2O2/c1-13(2)14-3-7-19(8-4-14)16-11-15(12-16)18(22)20-9-5-17(21)6-10-20/h13-17,21H,3-12H2,1-2H3
InChIKeyLHBFAESWQFQJPP-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.12
Rot. Bonds3

About (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone

(4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone (PubChem CID 177010647) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone
PubChem CID177010647
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone
SMILESCC(C)C1CCN(C2CC(C(=O)N3CCC(O)CC3)C2)CC1
InChIInChI=1S/C18H32N2O2/c1-13(2)14-3-7-19(8-4-14)16-11-15(12-16)18(22)20-9-5-17(21)6-10-20/h13-17,21H,3-12H2,1-2H3
InChIKeyLHBFAESWQFQJPP-UHFFFAOYSA-N
XLogP2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R*,4R*)-1'-(cyclobutylcarbonyl)-4-(2-methoxyethyl)-3-methyl-1,4'-bipiperidin-4-ol
CID 72928719
(5R)-5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
CID 171359734
(4-Hydroxypiperidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 84458625
2-[1-[1-(Dimethylamino)pentan-3-yl]-2-oxopiperidin-3-yl]acetaldehyde;1-methylpiperidin-4-ol
CID 141952771
Ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone
CID 153349821
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 155721017
Cyclopentyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721081
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 155721096
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 155721126
Cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721174
1-(4-Hydroxypiperidin-1-yl)-2-methyl-5-(4-propan-2-ylpiperidin-1-yl)pentane-1,5-dione
CID 156323168
1-Propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one
CID 161257651

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone (CID 177010647) is (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone is CC(C)C1CCN(C2CC(C(=O)N3CCC(O)CC3)C2)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone?
The InChIKey is LHBFAESWQFQJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13(2)14-3-7-19(8-4-14)16-11-15(12-16)18(22)20-9-5-17(21)6-10-20/h13-17,21H,3-12H2,1-2H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone?
(4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone has a molecular weight of 308.47 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone is sourced from PubChem (CID 177010647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).