1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide

C13H24N6O2 — CID 3209209

IUPAC1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
SMILESCCC(c1nnnn1CCOC)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H24N6O2/c1-3-11(13-15-16-17-19(13)8-9-21-2)18-6-4-10(5-7-18)12(14)20/h10-11H,3-9H2,1-2H3,(H2,14,20)
InChIKeyBDMJGKAZCCBZTB-UHFFFAOYSA-N
MW296.38 g/mol
LogP-0.03
Rot. Bonds7

About 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide

1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide (PubChem CID 3209209) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
PubChem CID3209209
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
SMILESCCC(c1nnnn1CCOC)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H24N6O2/c1-3-11(13-15-16-17-19(13)8-9-21-2)18-6-4-10(5-7-18)12(14)20/h10-11H,3-9H2,1-2H3,(H2,14,20)
InChIKeyBDMJGKAZCCBZTB-UHFFFAOYSA-N
XLogP-0.03
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide (CID 3209209) is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide is CCC(c1nnnn1CCOC)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The InChIKey is BDMJGKAZCCBZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-3-11(13-15-16-17-19(13)8-9-21-2)18-6-4-10(5-7-18)12(14)20/h10-11H,3-9H2,1-2H3,(H2,14,20).
What are the key properties of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide has a molecular weight of 296.38 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 3209209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).