1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C12H22N2O2 — CID 146018721

IUPAC1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3
InChIKeyCELKOAKJTFSHIV-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.11
Rot. Bonds2

About 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 146018721) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID146018721
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3
InChIKeyCELKOAKJTFSHIV-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 146018721) is 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1.
What is the InChIKey of 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is CELKOAKJTFSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 146018721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).