1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide

C16H30N6O — CID 3210353

IUPAC1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
SMILESCC(C)CCn1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H30N6O/c1-11(2)5-10-22-16(18-19-20-22)14(12(3)4)21-8-6-13(7-9-21)15(17)23/h11-14H,5-10H2,1-4H3,(H2,17,23)
InChIKeyASIINKDXMUDVDD-UHFFFAOYSA-N
MW322.46 g/mol
LogP1.61
Rot. Bonds7

About 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide

1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide (PubChem CID 3210353) has the molecular formula C16H30N6O and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
PubChem CID3210353
Molecular FormulaC16H30N6O
Molecular Weight322.46 g/mol
Exact Mass322.25
IUPAC Name1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
SMILESCC(C)CCn1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H30N6O/c1-11(2)5-10-22-16(18-19-20-22)14(12(3)4)21-8-6-13(7-9-21)15(17)23/h11-14H,5-10H2,1-4H3,(H2,17,23)
InChIKeyASIINKDXMUDVDD-UHFFFAOYSA-N
XLogP1.61
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide 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-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide (CID 3210353) is 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide is CC(C)CCn1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The InChIKey is ASIINKDXMUDVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O/c1-11(2)5-10-22-16(18-19-20-22)14(12(3)4)21-8-6-13(7-9-21)15(17)23/h11-14H,5-10H2,1-4H3,(H2,17,23).
What are the key properties of 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 3210353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).