3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one

C14H26N2O — CID 116559668

IUPAC3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
SMILESCC(C)CC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H26N2O/c1-11(2)10-14(17)13-4-3-9-16(13)12-5-7-15-8-6-12/h11-13,15H,3-10H2,1-2H3
InChIKeyRJYYFJLUGVRNPE-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.82
Rot. Bonds4

About 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one

3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one (PubChem CID 116559668) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
PubChem CID116559668
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
SMILESCC(C)CC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H26N2O/c1-11(2)10-14(17)13-4-3-9-16(13)12-5-7-15-8-6-12/h11-13,15H,3-10H2,1-2H3
InChIKeyRJYYFJLUGVRNPE-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
CID 114477895
3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61278696
N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61020918
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
N-[(1R)-1-cyclopentylethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 81389308
N-(2-methyl-3-methylsulfanylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 63959744
(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 79009572
(2S)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61174368
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one (CID 116559668) is 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one is CC(C)CC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one?
The InChIKey is RJYYFJLUGVRNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)10-14(17)13-4-3-9-16(13)12-5-7-15-8-6-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one?
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one is sourced from PubChem (CID 116559668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).