1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

C23H34N2O — CID 134079372

IUPAC1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESc1ccc2c(c1)C(N1CCCC1)CCC21CCN(C2CCOCC2)CC1
InChIInChI=1S/C23H34N2O/c1-2-6-21-20(5-1)22(25-13-3-4-14-25)7-10-23(21)11-15-24(16-12-23)19-8-17-26-18-9-19/h1-2,5-6,19,22H,3-4,7-18H2
InChIKeyPLMYXYNCEPHJOE-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.13
Rot. Bonds2

About 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 134079372) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID134079372
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESc1ccc2c(c1)C(N1CCCC1)CCC21CCN(C2CCOCC2)CC1
InChIInChI=1S/C23H34N2O/c1-2-6-21-20(5-1)22(25-13-3-4-14-25)7-10-23(21)11-15-24(16-12-23)19-8-17-26-18-9-19/h1-2,5-6,19,22H,3-4,7-18H2
InChIKeyPLMYXYNCEPHJOE-UHFFFAOYSA-N
XLogP4.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 134079372) is 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is c1ccc2c(c1)C(N1CCCC1)CCC21CCN(C2CCOCC2)CC1.
What is the InChIKey of 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is PLMYXYNCEPHJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-2-6-21-20(5-1)22(25-13-3-4-14-25)7-10-23(21)11-15-24(16-12-23)19-8-17-26-18-9-19/h1-2,5-6,19,22H,3-4,7-18H2.
What are the key properties of 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 354.54 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxan-4-yl)-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 134079372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).