N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide

C9H16N6O — CID 79155725

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCCC1)c1nn[nH]n1
InChIInChI=1S/C9H16N6O/c1-7(8-11-13-14-12-8)10-9(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,10,16)(H,11,12,13,14)
InChIKeyDEESVNWXTRMJAR-UHFFFAOYSA-N
MW224.27 g/mol
LogP0.46
Rot. Bonds2

About N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide

N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide (PubChem CID 79155725) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide
PubChem CID79155725
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCCC1)c1nn[nH]n1
InChIInChI=1S/C9H16N6O/c1-7(8-11-13-14-12-8)10-9(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,10,16)(H,11,12,13,14)
InChIKeyDEESVNWXTRMJAR-UHFFFAOYSA-N
XLogP0.46
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide (CID 79155725) is N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCCCC1)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is DEESVNWXTRMJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-7(8-11-13-14-12-8)10-9(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,10,16)(H,11,12,13,14).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide?
N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 224.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 79155725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).