1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide

C12H16N4O2 — CID 29367836

IUPAC1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C12H16N4O2/c1-9(17)16-7-3-10(4-8-16)11(18)15-12-13-5-2-6-14-12/h2,5-6,10H,3-4,7-8H2,1H3,(H,13,14,15,18)
InChIKeyHWVVLSVEXWHMFA-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.67
Rot. Bonds2

About 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 29367836) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID29367836
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C12H16N4O2/c1-9(17)16-7-3-10(4-8-16)11(18)15-12-13-5-2-6-14-12/h2,5-6,10H,3-4,7-8H2,1H3,(H,13,14,15,18)
InChIKeyHWVVLSVEXWHMFA-UHFFFAOYSA-N
XLogP0.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 29367836) is 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ncccn2)CC1.
What is the InChIKey of 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is HWVVLSVEXWHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9(17)16-7-3-10(4-8-16)11(18)15-12-13-5-2-6-14-12/h2,5-6,10H,3-4,7-8H2,1H3,(H,13,14,15,18).
What are the key properties of 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 29367836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).