3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide

C13H20N4O — CID 107588596

IUPAC3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
SMILESCC(CC(=O)Nc1cncnc1)C1CCCNC1
InChIInChI=1S/C13H20N4O/c1-10(11-3-2-4-14-6-11)5-13(18)17-12-7-15-9-16-8-12/h7-11,14H,2-6H2,1H3,(H,17,18)
InChIKeyCKGXJMVAEGAFSE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.44
Rot. Bonds4

About 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide

3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide (PubChem CID 107588596) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
PubChem CID107588596
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
SMILESCC(CC(=O)Nc1cncnc1)C1CCCNC1
InChIInChI=1S/C13H20N4O/c1-10(11-3-2-4-14-6-11)5-13(18)17-12-7-15-9-16-8-12/h7-11,14H,2-6H2,1H3,(H,17,18)
InChIKeyCKGXJMVAEGAFSE-UHFFFAOYSA-N
XLogP1.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 81044757
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
CID 81049063
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879371
N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119845919
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide?
The IUPAC name of 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide (CID 107588596) is 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide?
The canonical SMILES for 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide is CC(CC(=O)Nc1cncnc1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide?
The InChIKey is CKGXJMVAEGAFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(11-3-2-4-14-6-11)5-13(18)17-12-7-15-9-16-8-12/h7-11,14H,2-6H2,1H3,(H,17,18).
What are the key properties of 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide?
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide has a molecular weight of 248.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide is sourced from PubChem (CID 107588596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).