(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione

C15H25N7O2 — CID 97099056

IUPAC(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCCCn1nnnc1CN1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1
InChIInChI=1S/C15H25N7O2/c1-4-7-22-12(17-18-19-22)10-21-8-5-6-11(9-21)15(2)13(23)20(3)14(24)16-15/h11H,4-10H2,1-3H3,(H,16,24)/t11-,15+/m0/s1
InChIKeyUARBUPYKZSRRJL-XHDPSFHLSA-N
MW335.41 g/mol
LogP0.24
Rot. Bonds5

About (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione

(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 97099056) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID97099056
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCCCn1nnnc1CN1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1
InChIInChI=1S/C15H25N7O2/c1-4-7-22-12(17-18-19-22)10-21-8-5-6-11(9-21)15(2)13(23)20(3)14(24)16-15/h11H,4-10H2,1-3H3,(H,16,24)/t11-,15+/m0/s1
InChIKeyUARBUPYKZSRRJL-XHDPSFHLSA-N
XLogP0.24
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927210
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 96513827
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 96538871
3-[(1-propyltetrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490223
5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927218
ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 81337751
1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95585835
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97090048
(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090037
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090041

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione (CID 97099056) is (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione is CCCn1nnnc1CN1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1.
What is the InChIKey of (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is UARBUPYKZSRRJL-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-4-7-22-12(17-18-19-22)10-21-8-5-6-11(9-21)15(2)13(23)20(3)14(24)16-15/h11H,4-10H2,1-3H3,(H,16,24)/t11-,15+/m0/s1.
What are the key properties of (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 97099056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).