1-acetyl-N-tert-butylpiperidine-4-carboxamide

C12H22N2O2 — CID 17148671

IUPAC1-acetyl-N-tert-butylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9(15)14-7-5-10(6-8-14)11(16)13-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)
InChIKeyHJLQEZGMLOGKBZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds1

About 1-acetyl-N-tert-butylpiperidine-4-carboxamide

1-acetyl-N-tert-butylpiperidine-4-carboxamide (PubChem CID 17148671) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-acetyl-N-tert-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-tert-butylpiperidine-4-carboxamide
PubChem CID17148671
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-acetyl-N-tert-butylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9(15)14-7-5-10(6-8-14)11(16)13-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)
InChIKeyHJLQEZGMLOGKBZ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
4-N-tert-butyl-1-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 47238287
N-tert-butyl-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 113005394
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146258
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
N-tert-butylcyclooctanecarboxamide
CID 65022804
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
CID 39594396
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
N-tert-butyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 51362667

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-tert-butylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-tert-butylpiperidine-4-carboxamide (CID 17148671) is 1-acetyl-N-tert-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-tert-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-tert-butylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-acetyl-N-tert-butylpiperidine-4-carboxamide?
The InChIKey is HJLQEZGMLOGKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(15)14-7-5-10(6-8-14)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-4-carboxamide?
1-acetyl-N-tert-butylpiperidine-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.16, 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-4-carboxamide is sourced from PubChem (CID 17148671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).