1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide

C19H28N6O — CID 3210473

IUPAC1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O/c1-2-6-17(24-12-10-16(11-13-24)18(20)26)19-21-22-23-25(19)14-9-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3,(H2,20,26)
InChIKeyCLEIHIUIIPHFGU-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.95
Rot. Bonds8

About 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide

1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (PubChem CID 3210473) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
PubChem CID3210473
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O/c1-2-6-17(24-12-10-16(11-13-24)18(20)26)19-21-22-23-25(19)14-9-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3,(H2,20,26)
InChIKeyCLEIHIUIIPHFGU-UHFFFAOYSA-N
XLogP1.95
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (CID 3210473) is 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is CCCC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The InChIKey is CLEIHIUIIPHFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-6-17(24-12-10-16(11-13-24)18(20)26)19-21-22-23-25(19)14-9-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3,(H2,20,26).
What are the key properties of 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 3210473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).