N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

C15H24N4O2 — CID 42953467

IUPACN-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C15H24N4O2/c1-4-11(2)17-14(20)12-6-9-19(10-7-12)15-16-8-5-13(18-15)21-3/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyBZZHEGQEJJHKQK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.62
Rot. Bonds5

About N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 42953467) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID42953467
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C15H24N4O2/c1-4-11(2)17-14(20)12-6-9-19(10-7-12)15-16-8-5-13(18-15)21-3/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyBZZHEGQEJJHKQK-UHFFFAOYSA-N
XLogP1.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide (CID 42953467) is N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2nccc(OC)n2)CC1.
What is the InChIKey of N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is BZZHEGQEJJHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-11(2)17-14(20)12-6-9-19(10-7-12)15-16-8-5-13(18-15)21-3/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42953467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).