(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H26N6O2 — CID 97206608

IUPAC(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)CCn3cnnn3)CC2)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C20H26N6O2/c1-24-14-20(13-17(19(24)28)16-5-3-2-4-6-16)8-11-25(12-9-20)18(27)7-10-26-15-21-22-23-26/h2-6,15,17H,7-14H2,1H3/t17-/m1/s1
InChIKeyREVTVHPACYJOHQ-QGZVFWFLSA-N
MW382.47 g/mol
LogP1.32
Rot. Bonds4

About (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97206608) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97206608
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)CCn3cnnn3)CC2)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C20H26N6O2/c1-24-14-20(13-17(19(24)28)16-5-3-2-4-6-16)8-11-25(12-9-20)18(27)7-10-26-15-21-22-23-26/h2-6,15,17H,7-14H2,1H3/t17-/m1/s1
InChIKeyREVTVHPACYJOHQ-QGZVFWFLSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97138060
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076
propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72939969
(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97197653
4-methyl-1-[(4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pentane-1,2-dione
CID 97127092
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621
2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97144452
(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97149815
N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide
CID 72865020
(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97194947
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
1-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45196357

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97206608) is (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(C(=O)CCn3cnnn3)CC2)C[C@H](c2ccccc2)C1=O.
What is the InChIKey of (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is REVTVHPACYJOHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-24-14-20(13-17(19(24)28)16-5-3-2-4-6-16)8-11-25(12-9-20)18(27)7-10-26-15-21-22-23-26/h2-6,15,17H,7-14H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.47 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97206608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).