1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one

C15H30N4O — CID 178000242

IUPAC1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCCCN1CCN(CN2CCN(C(=O)CC)CC2)CC1
InChIInChI=1S/C15H30N4O/c1-3-5-16-6-8-17(9-7-16)14-18-10-12-19(13-11-18)15(20)4-2/h3-14H2,1-2H3
InChIKeyFVBWWVVVTOCXPE-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.53
Rot. Bonds5

About 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one

1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 178000242) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID178000242
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCCCN1CCN(CN2CCN(C(=O)CC)CC2)CC1
InChIInChI=1S/C15H30N4O/c1-3-5-16-6-8-17(9-7-16)14-18-10-12-19(13-11-18)15(20)4-2/h3-14H2,1-2H3
InChIKeyFVBWWVVVTOCXPE-UHFFFAOYSA-N
XLogP0.53
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bis(4-methylpiperazin-1-yl)methanone
CID 515613
N,N-dimethyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 45801138
4-(2,2-dimethylpropanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 45814201
N,N-dimethyl-4-propanoylpiperazine-1-carboxamide
CID 60757686
(4-Ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 70672319
2-(4-Methylpiperazin-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 71221385
1-[4-(4-Methylpiperazine-1-carbonyl)piperazin-1-yl]ethanone
CID 89778238
Bis(4-ethylpiperazin-1-yl)methanone
CID 108988471
1-[4-(4-Acetylpiperazine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988651
1,3-Bis(4-methylpiperazin-1-yl)propan-1-one
CID 110849737
2,2-Dimethyl-1-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 129076483
4-[1-(4-Formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde
CID 142647395

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one (CID 178000242) is 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one is CCCN1CCN(CN2CCN(C(=O)CC)CC2)CC1.
What is the InChIKey of 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is FVBWWVVVTOCXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-3-5-16-6-8-17(9-7-16)14-18-10-12-19(13-11-18)15(20)4-2/h3-14H2,1-2H3.
What are the key properties of 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one?
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 178000242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).