1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]

C17H23N5O — CID 154842458

IUPAC1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCC(c1nnnn1C)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C17H23N5O/c1-13(16-18-19-20-21(16)2)22-11-9-17(10-12-22)8-7-14-5-3-4-6-15(14)23-17/h3-6,13H,7-12H2,1-2H3
InChIKeyHBZAUHRXSHSNEC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.13
Rot. Bonds2

About 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 154842458) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID154842458
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCC(c1nnnn1C)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C17H23N5O/c1-13(16-18-19-20-21(16)2)22-11-9-17(10-12-22)8-7-14-5-3-4-6-15(14)23-17/h3-6,13H,7-12H2,1-2H3
InChIKeyHBZAUHRXSHSNEC-UHFFFAOYSA-N
XLogP2.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 154842458) is 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] is CC(c1nnnn1C)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is HBZAUHRXSHSNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(16-18-19-20-21(16)2)22-11-9-17(10-12-22)8-7-14-5-3-4-6-15(14)23-17/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 313.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 154842458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).