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

C12H22N2O — CID 58870209

IUPAC1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-11(15)10-13-8-4-12(5-9-13)14-6-2-3-7-14/h12H,2-10H2,1H3
InChIKeyMAECKZGJZPEKIO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.14
Rot. Bonds3

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

1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one (PubChem CID 58870209) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
PubChem CID58870209
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-11(15)10-13-8-4-12(5-9-13)14-6-2-3-7-14/h12H,2-10H2,1H3
InChIKeyMAECKZGJZPEKIO-UHFFFAOYSA-N
XLogP1.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
[1,4'-Bipiperidine]-1'-aceticacid,potassiumsalt(1:1)
CID 70199542
1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one
CID 62044651
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
CID 90717015
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275
N-(2-methoxyethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
CID 171700198
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one?
The IUPAC name of 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one (CID 58870209) is 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one?
The canonical SMILES for 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one is CC(=O)CN1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one?
The InChIKey is MAECKZGJZPEKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(15)10-13-8-4-12(5-9-13)14-6-2-3-7-14/h12H,2-10H2,1H3.
What are the key properties of 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one?
1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one is sourced from PubChem (CID 58870209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).