1-N-tert-butylpiperidine-1,4-dicarboxamide

C11H21N3O2 — CID 894347

IUPAC1-N-tert-butylpiperidine-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)13-10(16)14-6-4-8(5-7-14)9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyDLOCQMNVOJUEFC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.69
Rot. Bonds1

About 1-N-tert-butylpiperidine-1,4-dicarboxamide

1-N-tert-butylpiperidine-1,4-dicarboxamide (PubChem CID 894347) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-N-tert-butylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butylpiperidine-1,4-dicarboxamide
PubChem CID894347
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-N-tert-butylpiperidine-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)13-10(16)14-6-4-8(5-7-14)9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyDLOCQMNVOJUEFC-UHFFFAOYSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-tert-butylpiperidine-1,4-dicarboxamide (CID 894347) is 1-N-tert-butylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-tert-butylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-tert-butylpiperidine-1,4-dicarboxamide is CC(C)(C)NC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-N-tert-butylpiperidine-1,4-dicarboxamide?
The InChIKey is DLOCQMNVOJUEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)13-10(16)14-6-4-8(5-7-14)9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16).
What are the key properties of 1-N-tert-butylpiperidine-1,4-dicarboxamide?
1-N-tert-butylpiperidine-1,4-dicarboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 894347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).