[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone

C25H28N2O2 — CID 139513922

IUPAC[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C=C(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C25H28N2O2/c28-24(22-9-5-2-6-10-22)27-18-23(29-25(19-27)13-14-25)21-11-15-26(16-12-21)17-20-7-3-1-4-8-20/h1-10,18,21H,11-17,19H2
InChIKeyGMXVJRRZYOXJOK-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.45
Rot. Bonds4

About [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone

[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone (PubChem CID 139513922) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone
PubChem CID139513922
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C=C(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C25H28N2O2/c28-24(22-9-5-2-6-10-22)27-18-23(29-25(19-27)13-14-25)21-11-15-26(16-12-21)17-20-7-3-1-4-8-20/h1-10,18,21H,11-17,19H2
InChIKeyGMXVJRRZYOXJOK-UHFFFAOYSA-N
XLogP4.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene
CID 139513921
[(5S)-5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone;sulfane
CID 161237375
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid
CID 91241746
(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
CID 175201473
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone?
The IUPAC name of [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone (CID 139513922) is [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone.
What is the SMILES notation for [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone?
The canonical SMILES for [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone is O=C(c1ccccc1)N1C=C(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1.
What is the InChIKey of [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone?
The InChIKey is GMXVJRRZYOXJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-24(22-9-5-2-6-10-22)27-18-23(29-25(19-27)13-14-25)21-11-15-26(16-12-21)17-20-7-3-1-4-8-20/h1-10,18,21H,11-17,19H2.
What are the key properties of [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone?
[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone has a molecular weight of 388.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone is sourced from PubChem (CID 139513922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).