[3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

C23H28N2O2 — CID 167817879

IUPAC[3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESNC1CCOC(C2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C23H28N2O2/c24-21-12-14-27-22(15-21)20-7-4-13-25(16-20)23(26)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22H,4,7,12-16,24H2
InChIKeyPUFWZWXBEBAAQI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.71
Rot. Bonds3

About [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

[3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 167817879) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID167817879
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESNC1CCOC(C2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C23H28N2O2/c24-21-12-14-27-22(15-21)20-7-4-13-25(16-20)23(26)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22H,4,7,12-16,24H2
InChIKeyPUFWZWXBEBAAQI-UHFFFAOYSA-N
XLogP3.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
2-(1-benzylpiperidin-3-yl)oxan-4-amine
CID 130880845
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
[(4aR,8aR)-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-3-yl]-phenylmethanone
CID 125473675
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 136528149
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
(4-phenylphenyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 16613326

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 167817879) is [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is NC1CCOC(C2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)C1.
What is the InChIKey of [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is PUFWZWXBEBAAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c24-21-12-14-27-22(15-21)20-7-4-13-25(16-20)23(26)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22H,4,7,12-16,24H2.
What are the key properties of [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 364.49 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 167817879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).