1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

C15H23N7O — CID 118770556

IUPAC1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCc1cnn(CC2CCN(C(=O)CCn3nnnc3C)CC2)c1
InChIInChI=1S/C15H23N7O/c1-12-9-16-21(10-12)11-14-3-6-20(7-4-14)15(23)5-8-22-13(2)17-18-19-22/h9-10,14H,3-8,11H2,1-2H3
InChIKeyRDDHDCGUPHQIQN-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.82
Rot. Bonds5

About 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (PubChem CID 118770556) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
PubChem CID118770556
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCc1cnn(CC2CCN(C(=O)CCn3nnnc3C)CC2)c1
InChIInChI=1S/C15H23N7O/c1-12-9-16-21(10-12)11-14-3-6-20(7-4-14)15(23)5-8-22-13(2)17-18-19-22/h9-10,14H,3-8,11H2,1-2H3
InChIKeyRDDHDCGUPHQIQN-UHFFFAOYSA-N
XLogP0.82
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (CID 118770556) is 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is Cc1cnn(CC2CCN(C(=O)CCn3nnnc3C)CC2)c1.
What is the InChIKey of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The InChIKey is RDDHDCGUPHQIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-12-9-16-21(10-12)11-14-3-6-20(7-4-14)15(23)5-8-22-13(2)17-18-19-22/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one has a molecular weight of 317.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 118770556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).