N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide

C15H26N6O2 — CID 71806762

IUPACN-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)nn1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)17-14(23)21-7-5-11(6-8-21)9-16-13(22)12-10-20(4)19-18-12/h10-11H,5-9H2,1-4H3,(H,16,22)(H,17,23)
InChIKeyUJDQKTWDIQYGPP-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.76
Rot. Bonds3

About N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide (PubChem CID 71806762) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
PubChem CID71806762
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC NameN-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)nn1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)17-14(23)21-7-5-11(6-8-21)9-16-13(22)12-10-20(4)19-18-12/h10-11H,5-9H2,1-4H3,(H,16,22)(H,17,23)
InChIKeyUJDQKTWDIQYGPP-UHFFFAOYSA-N
XLogP0.76
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide (CID 71806762) is N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide is Cn1cc(C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)nn1.
What is the InChIKey of N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide?
The InChIKey is UJDQKTWDIQYGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-15(2,3)17-14(23)21-7-5-11(6-8-21)9-16-13(22)12-10-20(4)19-18-12/h10-11H,5-9H2,1-4H3,(H,16,22)(H,17,23).
What are the key properties of N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[(1-methyltriazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71806762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).