3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one

C17H34N4O — CID 178000232

IUPAC3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCN(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O/c1-15(2)13-17(22)21-11-7-19(8-12-21)14-18-5-9-20(10-6-18)16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyWNMZQYIQFCEMBM-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.16
Rot. Bonds5

About 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one

3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 178000232) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
PubChem CID178000232
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCN(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O/c1-15(2)13-17(22)21-11-7-19(8-12-21)14-18-5-9-20(10-6-18)16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyWNMZQYIQFCEMBM-UHFFFAOYSA-N
XLogP1.16
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

ethane;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
CID 178000239
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848
3-methyl-1-[4-(3-sulfanylpropyl)piperazin-1-yl]butan-1-one
CID 115267934
2-methyl-8-[4-(3-methylbutanoyl)piperazin-1-yl]octan-4-one
CID 159943542
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
3-methoxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanoic acid
CID 112519900
2-methyl-N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]propyl]propanamide
CID 129177596

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one (CID 178000232) is 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one is CC(C)CC(=O)N1CCN(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one?
The InChIKey is WNMZQYIQFCEMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-15(2)13-17(22)21-11-7-19(8-12-21)14-18-5-9-20(10-6-18)16(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one?
3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 310.49 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 178000232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).