2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C14H26N4O2 — CID 119898989

IUPAC2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(C(=O)CCN)CC1
InChIInChI=1S/C14H26N4O2/c1-12(14(20)18-6-2-3-7-18)16-8-10-17(11-9-16)13(19)4-5-15/h12H,2-11,15H2,1H3
InChIKeyNYPMPDSHOXTCAG-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.51
Rot. Bonds4

About 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 119898989) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID119898989
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(C(=O)CCN)CC1
InChIInChI=1S/C14H26N4O2/c1-12(14(20)18-6-2-3-7-18)16-8-10-17(11-9-16)13(19)4-5-15/h12H,2-11,15H2,1H3
InChIKeyNYPMPDSHOXTCAG-UHFFFAOYSA-N
XLogP-0.51
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pentan-1-one
CID 120565930
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one
CID 119898937
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95295952
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-[3-(2,3-dichlorophenyl)propanoyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890836
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 75507547
1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 86890817
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 119898989) is 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CCN(C(=O)CCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NYPMPDSHOXTCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-12(14(20)18-6-2-3-7-18)16-8-10-17(11-9-16)13(19)4-5-15/h12H,2-11,15H2,1H3.
What are the key properties of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 282.39 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 119898989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).