(2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol

C26H31N5O3 — CID 163609306

IUPAC(2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol
SMILESCn1nnnc1-c1cccc(C2=CC3(CCN(C(O)OC(C)(C)C)CC3)Oc3ccccc32)c1
InChIInChI=1S/C26H31N5O3/c1-25(2,3)34-24(32)31-14-12-26(13-15-31)17-21(20-10-5-6-11-22(20)33-26)18-8-7-9-19(16-18)23-27-28-29-30(23)4/h5-11,16-17,24,32H,12-15H2,1-4H3
InChIKeyHENFYWDGRBHQCT-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.63
Rot. Bonds4

About (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol

(2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol (PubChem CID 163609306) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol
PubChem CID163609306
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name(2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol
SMILESCn1nnnc1-c1cccc(C2=CC3(CCN(C(O)OC(C)(C)C)CC3)Oc3ccccc32)c1
InChIInChI=1S/C26H31N5O3/c1-25(2,3)34-24(32)31-14-12-26(13-15-31)17-21(20-10-5-6-11-22(20)33-26)18-8-7-9-19(16-18)23-27-28-29-30(23)4/h5-11,16-17,24,32H,12-15H2,1-4H3
InChIKeyHENFYWDGRBHQCT-UHFFFAOYSA-N
XLogP3.63
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol?
The IUPAC name of (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol (CID 163609306) is (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol?
The canonical SMILES for (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol is Cn1nnnc1-c1cccc(C2=CC3(CCN(C(O)OC(C)(C)C)CC3)Oc3ccccc32)c1.
What is the InChIKey of (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol?
The InChIKey is HENFYWDGRBHQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-25(2,3)34-24(32)31-14-12-26(13-15-31)17-21(20-10-5-6-11-22(20)33-26)18-8-7-9-19(16-18)23-27-28-29-30(23)4/h5-11,16-17,24,32H,12-15H2,1-4H3.
What are the key properties of (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol?
(2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol has a molecular weight of 461.57 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-[4-[3-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]methanol is sourced from PubChem (CID 163609306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).