6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one

C15H22N2O2 — CID 115276324

IUPAC6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)CCCc1ccc[nH]1
InChIInChI=1S/C15H22N2O2/c1-15(2)9-8-13(18)11-17(15)14(19)7-3-5-12-6-4-10-16-12/h4,6,10,16H,3,5,7-9,11H2,1-2H3
InChIKeyITQFVCPAYFOPRN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds4

About 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one

6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one (PubChem CID 115276324) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
PubChem CID115276324
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)CCCc1ccc[nH]1
InChIInChI=1S/C15H22N2O2/c1-15(2)9-8-13(18)11-17(15)14(19)7-3-5-12-6-4-10-16-12/h4,6,10,16H,3,5,7-9,11H2,1-2H3
InChIKeyITQFVCPAYFOPRN-UHFFFAOYSA-N
XLogP2.31
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 115270475
1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115277163
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115276035
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
1-butanoyl-6,6-dimethylpiperidin-3-one
CID 115269445
6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one
CID 115276306
1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one
CID 115276326
1-[2-(4-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269472
1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115273150
1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269480
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
1-[2-(4-bromophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269490

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one?
The IUPAC name of 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one (CID 115276324) is 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one.
What is the SMILES notation for 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one?
The canonical SMILES for 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one is CC1(C)CCC(=O)CN1C(=O)CCCc1ccc[nH]1.
What is the InChIKey of 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one?
The InChIKey is ITQFVCPAYFOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)9-8-13(18)11-17(15)14(19)7-3-5-12-6-4-10-16-12/h4,6,10,16H,3,5,7-9,11H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one?
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one is sourced from PubChem (CID 115276324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).