2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C15H30N4O — CID 63340162

IUPAC2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(CN)N1CCN(C(C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H30N4O/c1-13(12-16)17-8-10-18(11-9-17)14(2)15(20)19-6-4-3-5-7-19/h13-14H,3-12,16H2,1-2H3
InChIKeySQZNTCYHXUGWKE-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.35
Rot. Bonds4

About 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 63340162) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID63340162
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(CN)N1CCN(C(C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H30N4O/c1-13(12-16)17-8-10-18(11-9-17)14(2)15(20)19-6-4-3-5-7-19/h13-14H,3-12,16H2,1-2H3
InChIKeySQZNTCYHXUGWKE-UHFFFAOYSA-N
XLogP0.35
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898989
(2S)-1-(azepan-1-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95320713
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
CID 63337316
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 63337916
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
4-amino-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pentan-1-one
CID 120565930
N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 75507547
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
CID 63339692

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 63340162) is 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is CC(CN)N1CCN(C(C)C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is SQZNTCYHXUGWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-13(12-16)17-8-10-18(11-9-17)14(2)15(20)19-6-4-3-5-7-19/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 282.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 63340162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).