(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone

C17H24N2O2 — CID 66250245

IUPAC(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(c3ccccc3)CC2)COCC1N
InChIInChI=1S/C17H24N2O2/c1-17(12-21-11-15(17)18)16(20)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h2-6,14-15H,7-12,18H2,1H3
InChIKeyAGSFQYBBWQIRPM-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.76
Rot. Bonds2

About (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 66250245) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID66250245
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(c3ccccc3)CC2)COCC1N
InChIInChI=1S/C17H24N2O2/c1-17(12-21-11-15(17)18)16(20)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h2-6,14-15H,7-12,18H2,1H3
InChIKeyAGSFQYBBWQIRPM-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66250974
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 66248492
(4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone
CID 114607511
(4-amino-3-methyloxolan-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 66263043
(4-aminooxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66240855
(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66263900
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958611
8-(4-amino-3-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 66250448
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 136583837

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone (CID 66250245) is (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone is CC1(C(=O)N2CCC(c3ccccc3)CC2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is AGSFQYBBWQIRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(12-21-11-15(17)18)16(20)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h2-6,14-15H,7-12,18H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 66250245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).