2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide

C18H26N6O — CID 119826421

IUPAC2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)n1nnc(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C18H26N6O/c1-3-13-23(16-9-11-19-12-10-16)18(25)14(2)24-21-17(20-22-24)15-7-5-4-6-8-15/h4-8,14,16,19H,3,9-13H2,1-2H3
InChIKeyTXIFIMPIMNOIHO-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.89
Rot. Bonds6

About 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide

2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119826421) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119826421
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)n1nnc(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C18H26N6O/c1-3-13-23(16-9-11-19-12-10-16)18(25)14(2)24-21-17(20-22-24)15-7-5-4-6-8-15/h4-8,14,16,19H,3,9-13H2,1-2H3
InChIKeyTXIFIMPIMNOIHO-UHFFFAOYSA-N
XLogP1.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide (CID 119826421) is 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)C(C)n1nnc(-c2ccccc2)n1)C1CCNCC1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is TXIFIMPIMNOIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-13-23(16-9-11-19-12-10-16)18(25)14(2)24-21-17(20-22-24)15-7-5-4-6-8-15/h4-8,14,16,19H,3,9-13H2,1-2H3.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide?
2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 342.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 119826421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).