4-acetamido-N-tert-butylpiperidine-1-carboxamide

C12H23N3O2 — CID 110748466

IUPAC4-acetamido-N-tert-butylpiperidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-9(16)13-10-5-7-15(8-6-10)11(17)14-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyPISMXMHCNBAXID-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.10
Rot. Bonds1

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

4-acetamido-N-tert-butylpiperidine-1-carboxamide (PubChem CID 110748466) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-acetamido-N-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-tert-butylpiperidine-1-carboxamide
PubChem CID110748466
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-acetamido-N-tert-butylpiperidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-9(16)13-10-5-7-15(8-6-10)11(17)14-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyPISMXMHCNBAXID-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
N-tert-butyl-4-(ethylamino)piperidine-1-carboxamide
CID 60819470
cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide
CID 46984214
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
CID 110822461
4-N-tert-butyl-1-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 47238287
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide
CID 63596385
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-tert-butylpiperidine-1-carboxamide?
The IUPAC name of 4-acetamido-N-tert-butylpiperidine-1-carboxamide (CID 110748466) is 4-acetamido-N-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-N-tert-butylpiperidine-1-carboxamide is CC(=O)NC1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-acetamido-N-tert-butylpiperidine-1-carboxamide?
The InChIKey is PISMXMHCNBAXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(16)13-10-5-7-15(8-6-10)11(17)14-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of 4-acetamido-N-tert-butylpiperidine-1-carboxamide?
4-acetamido-N-tert-butylpiperidine-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 110748466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).