1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone

C16H32N4O — CID 106636149

IUPAC1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone
SMILESCCCN(CC(=O)N1CCN(C)CC1)CC1CCCCN1
InChIInChI=1S/C16H32N4O/c1-3-8-19(13-15-6-4-5-7-17-15)14-16(21)20-11-9-18(2)10-12-20/h15,17H,3-14H2,1-2H3
InChIKeyODULTZNHIOAROV-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.61
Rot. Bonds6

About 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone

1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone (PubChem CID 106636149) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone
PubChem CID106636149
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone
SMILESCCCN(CC(=O)N1CCN(C)CC1)CC1CCCCN1
InChIInChI=1S/C16H32N4O/c1-3-8-19(13-15-6-4-5-7-17-15)14-16(21)20-11-9-18(2)10-12-20/h15,17H,3-14H2,1-2H3
InChIKeyODULTZNHIOAROV-UHFFFAOYSA-N
XLogP0.61
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
1-[2-[piperidin-2-ylmethyl(propyl)amino]acetyl]pyrrolidin-2-one
CID 106635944
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
CID 106618152
1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one
CID 106615823
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
N-(ethylcarbamoyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636038
N-(2-methylbutan-2-yl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106635885
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106615332
4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide
CID 106629827
2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
CID 106635938
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 106617900

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone (CID 106636149) is 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone is CCCN(CC(=O)N1CCN(C)CC1)CC1CCCCN1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone?
The InChIKey is ODULTZNHIOAROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-8-19(13-15-6-4-5-7-17-15)14-16(21)20-11-9-18(2)10-12-20/h15,17H,3-14H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone has a molecular weight of 296.46 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone is sourced from PubChem (CID 106636149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).