5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene

C20H28N2O — CID 139513921

IUPAC5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene
SMILESCCN1C=C(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C20H28N2O/c1-2-21-15-19(23-20(16-21)10-11-20)18-8-12-22(13-9-18)14-17-6-4-3-5-7-17/h3-7,15,18H,2,8-14,16H2,1H3
InChIKeyDRIIICQPZXPQRE-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.62
Rot. Bonds4

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

5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene (PubChem CID 139513921) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene.

Molecular Properties

Compound Name5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene
PubChem CID139513921
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene
SMILESCCN1C=C(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C20H28N2O/c1-2-21-15-19(23-20(16-21)10-11-20)18-8-12-22(13-9-18)14-17-6-4-3-5-7-17/h3-7,15,18H,2,8-14,16H2,1H3
InChIKeyDRIIICQPZXPQRE-UHFFFAOYSA-N
XLogP3.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene with MolForge

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Related Compounds

[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone
CID 139513922
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-4-(2-propylphenyl)piperidine
CID 143140323
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
(1R,6S)-3-benzyl-1-ethyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 639290
(4E)-1-benzyl-4-butylidene-5-methylazepane
CID 135037379
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene?
The IUPAC name of 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene (CID 139513921) is 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene.
What is the SMILES notation for 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene?
The canonical SMILES for 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene is CCN1C=C(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1.
What is the InChIKey of 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene?
The InChIKey is DRIIICQPZXPQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-2-21-15-19(23-20(16-21)10-11-20)18-8-12-22(13-9-18)14-17-6-4-3-5-7-17/h3-7,15,18H,2,8-14,16H2,1H3.
What are the key properties of 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene?
5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene has a molecular weight of 312.46 g/mol, XLogP of 3.62, 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)-7-ethyl-4-oxa-7-azaspiro[2.5]oct-5-ene is sourced from PubChem (CID 139513921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).