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

C15H30N4O — CID 63169579

IUPAC2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCCN(CC)C1CCN(C(C)C(=O)N2CCNCC2)C1
InChIInChI=1S/C15H30N4O/c1-4-17(5-2)14-6-9-19(12-14)13(3)15(20)18-10-7-16-8-11-18/h13-14,16H,4-12H2,1-3H3
InChIKeyIIBLQKPHCBSFLV-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.22
Rot. Bonds5

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

2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 63169579) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID63169579
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCCN(CC)C1CCN(C(C)C(=O)N2CCNCC2)C1
InChIInChI=1S/C15H30N4O/c1-4-17(5-2)14-6-9-19(12-14)13(3)15(20)18-10-7-16-8-11-18/h13-14,16H,4-12H2,1-3H3
InChIKeyIIBLQKPHCBSFLV-UHFFFAOYSA-N
XLogP0.22
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 62089527
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one
CID 24697719
N-cyclopropyl-N-ethyl-2-piperazin-1-ylpropanamide
CID 43264445
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716
4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
CID 64721493
(2S)-2-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63167021
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
2-(1,4-diazepan-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63166632
2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
CID 104689975

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 63169579) is 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one is CCN(CC)C1CCN(C(C)C(=O)N2CCNCC2)C1.
What is the InChIKey of 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is IIBLQKPHCBSFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-4-17(5-2)14-6-9-19(12-14)13(3)15(20)18-10-7-16-8-11-18/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 282.43 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 63169579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).