1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one

C13H18N2O2 — CID 115277163

IUPAC1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
SMILESO=C1CCCN(C(=O)CCCc2ccc[nH]2)C1
InChIInChI=1S/C13H18N2O2/c16-12-6-3-9-15(10-12)13(17)7-1-4-11-5-2-8-14-11/h2,5,8,14H,1,3-4,6-7,9-10H2
InChIKeyGHEUADQGJRKIBP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.53
Rot. Bonds4

About 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one

1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one (PubChem CID 115277163) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one.

Molecular Properties

Compound Name1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
PubChem CID115277163
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
SMILESO=C1CCCN(C(=O)CCCc2ccc[nH]2)C1
InChIInChI=1S/C13H18N2O2/c16-12-6-3-9-15(10-12)13(17)7-1-4-11-5-2-8-14-11/h2,5,8,14H,1,3-4,6-7,9-10H2
InChIKeyGHEUADQGJRKIBP-UHFFFAOYSA-N
XLogP1.53
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115277012
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
1-[4-(5-bromothiophen-2-yl)butanoyl]piperidin-3-one
CID 115277162
2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 115270475
1-(6-methylheptanoyl)piperidin-3-one
CID 115277157
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
CID 112536109
3-phenyl-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110808352
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115276035
1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
CID 112536102
1-(4-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131696807
1-[3-(4-bromothiophen-2-yl)propanoyl]piperidin-3-one
CID 115277144

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one?
The IUPAC name of 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one (CID 115277163) is 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one.
What is the SMILES notation for 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one?
The canonical SMILES for 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one is O=C1CCCN(C(=O)CCCc2ccc[nH]2)C1.
What is the InChIKey of 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one?
The InChIKey is GHEUADQGJRKIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-6-3-9-15(10-12)13(17)7-1-4-11-5-2-8-14-11/h2,5,8,14H,1,3-4,6-7,9-10H2.
What are the key properties of 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one?
1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one has a molecular weight of 234.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one is sourced from PubChem (CID 115277163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).