2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one

C13H24N2O — CID 63259596

IUPAC2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H24N2O/c1-10(2)13(16)15-8-5-11(6-9-15)12-4-3-7-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeyMCPWAXCENRVWIC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds2

About 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one

2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 63259596) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
PubChem CID63259596
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H24N2O/c1-10(2)13(16)15-8-5-11(6-9-15)12-4-3-7-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeyMCPWAXCENRVWIC-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 112703555
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999275
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 63259105
(E)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 63259333
cyclopentyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259153
(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477511
2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid
CID 79414419
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
methyl 1,2,3,4,4a,5,6,8,9,9a-decahydropyrido[2,3-d]azepine-7-carboxylate
CID 83848939
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
N,N-dimethyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)propanamide
CID 63259226
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one (CID 63259596) is 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one is CC(C)C(=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is MCPWAXCENRVWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)13(16)15-8-5-11(6-9-15)12-4-3-7-14-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 63259596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).