8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H28N8O2 — CID 55626803

IUPAC8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CN1CCN(c3nnnn3-c3ccccc3)CC1)C2=O
InChIInChI=1S/C21H28N8O2/c1-16-7-9-21(10-8-16)18(30)28(20(31)22-21)15-26-11-13-27(14-12-26)19-23-24-25-29(19)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,22,31)
InChIKeyNRMIRZSRWSKOQU-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.24
Rot. Bonds4

About 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55626803) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID55626803
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CN1CCN(c3nnnn3-c3ccccc3)CC1)C2=O
InChIInChI=1S/C21H28N8O2/c1-16-7-9-21(10-8-16)18(30)28(20(31)22-21)15-26-11-13-27(14-12-26)19-23-24-25-29(19)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,22,31)
InChIKeyNRMIRZSRWSKOQU-UHFFFAOYSA-N
XLogP1.24
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4968947
(3S)-3-phenyl-8-(1-phenyltetrazol-5-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97204837
6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441020
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
8-methyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2120863
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56876864
8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30721988
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55626803) is 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CN1CCN(c3nnnn3-c3ccccc3)CC1)C2=O.
What is the InChIKey of 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is NRMIRZSRWSKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-16-7-9-21(10-8-16)18(30)28(20(31)22-21)15-26-11-13-27(14-12-26)19-23-24-25-29(19)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,22,31).
What are the key properties of 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 424.51 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55626803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).