1-acetyl-N-tert-butylpiperidine-2-carboxamide

C12H22N2O2 — CID 58033931

IUPAC1-acetyl-N-tert-butylpiperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-9(15)14-8-6-5-7-10(14)11(16)13-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)
InChIKeyHWKMRTCLFVTILM-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds1

About 1-acetyl-N-tert-butylpiperidine-2-carboxamide

1-acetyl-N-tert-butylpiperidine-2-carboxamide (PubChem CID 58033931) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-acetyl-N-tert-butylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-tert-butylpiperidine-2-carboxamide
PubChem CID58033931
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-acetyl-N-tert-butylpiperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-9(15)14-8-6-5-7-10(14)11(16)13-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)
InChIKeyHWKMRTCLFVTILM-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-tert-butylpiperidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-tert-butylpiperidine-2-carboxamide (CID 58033931) is 1-acetyl-N-tert-butylpiperidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-tert-butylpiperidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-tert-butylpiperidine-2-carboxamide is CC(=O)N1CCCCC1C(=O)NC(C)(C)C.
What is the InChIKey of 1-acetyl-N-tert-butylpiperidine-2-carboxamide?
The InChIKey is HWKMRTCLFVTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(15)14-8-6-5-7-10(14)11(16)13-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 1-acetyl-N-tert-butylpiperidine-2-carboxamide?
1-acetyl-N-tert-butylpiperidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-tert-butylpiperidine-2-carboxamide is sourced from PubChem (CID 58033931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).