(3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one

C21H22N6O — CID 97204837

IUPAC(3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3nnnn3-c3ccccc3)CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H22N6O/c28-19-18(16-7-3-1-4-8-16)15-21(22-19)11-13-26(14-12-21)20-23-24-25-27(20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,28)/t18-/m0/s1
InChIKeyRUPKVRXJISGOID-SFHVURJKSA-N
MW374.45 g/mol
LogP2.31
Rot. Bonds3

About (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one

(3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97204837) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97204837
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3nnnn3-c3ccccc3)CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H22N6O/c28-19-18(16-7-3-1-4-8-16)15-21(22-19)11-13-26(14-12-21)20-23-24-25-27(20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,28)/t18-/m0/s1
InChIKeyRUPKVRXJISGOID-SFHVURJKSA-N
XLogP2.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 97204837) is (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(c3nnnn3-c3ccccc3)CC2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RUPKVRXJISGOID-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N6O/c28-19-18(16-7-3-1-4-8-16)15-21(22-19)11-13-26(14-12-21)20-23-24-25-27(20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,28)/t18-/m0/s1.
What are the key properties of (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one?
(3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97204837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).