1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one

C13H23N5O — CID 158958791

IUPAC1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
SMILESCC(C)N1CCC[C@@H](CC(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C13H23N5O/c1-10(2)18-6-4-5-11(9-18)7-12(19)8-13-14-16-17(3)15-13/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyJMIUUPDSCOWIPU-NSHDSACASA-N
MW265.36 g/mol
LogP0.83
Rot. Bonds5

About 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one

1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one (PubChem CID 158958791) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
PubChem CID158958791
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
SMILESCC(C)N1CCC[C@@H](CC(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C13H23N5O/c1-10(2)18-6-4-5-11(9-18)7-12(19)8-13-14-16-17(3)15-13/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyJMIUUPDSCOWIPU-NSHDSACASA-N
XLogP0.83
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one (CID 158958791) is 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one is CC(C)N1CCC[C@@H](CC(=O)Cc2nnn(C)n2)C1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one?
The InChIKey is JMIUUPDSCOWIPU-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(2)18-6-4-5-11(9-18)7-12(19)8-13-14-16-17(3)15-13/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one?
1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one is sourced from PubChem (CID 158958791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).