1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one

C14H20N2O2 — CID 82480285

IUPAC1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one
SMILESCn1ccc(CCCC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-15-8-5-12(11-15)3-2-4-14(18)16-9-6-13(17)7-10-16/h5,8,11H,2-4,6-7,9-10H2,1H3
InChIKeyQXZVUALPHSNXRR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.54
Rot. Bonds4

About 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one

1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one (PubChem CID 82480285) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one
PubChem CID82480285
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one
SMILESCn1ccc(CCCC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-15-8-5-12(11-15)3-2-4-14(18)16-9-6-13(17)7-10-16/h5,8,11H,2-4,6-7,9-10H2,1H3
InChIKeyQXZVUALPHSNXRR-UHFFFAOYSA-N
XLogP1.54
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-one
CID 82472618
5-(1-methylpyrrol-3-yl)-1-piperazin-1-ylpentan-1-one
CID 96676014
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
CID 2760467
3-(1-methylpyrrol-3-yl)propan-1-amine
CID 82280072
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800670
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768939
1-(4-phenylbutanoyl)-4-propyl-1,4-diazepan-5-one
CID 26280630
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 110673901
1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053398

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one?
The IUPAC name of 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one (CID 82480285) is 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one.
What is the SMILES notation for 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one?
The canonical SMILES for 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one is Cn1ccc(CCCC(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one?
The InChIKey is QXZVUALPHSNXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-8-5-12(11-15)3-2-4-14(18)16-9-6-13(17)7-10-16/h5,8,11H,2-4,6-7,9-10H2,1H3.
What are the key properties of 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one?
1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one is sourced from PubChem (CID 82480285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).