[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone

C14H27N3O — CID 70534208

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
SMILESCC(C)CN1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-13(2)12-15-8-10-17(11-9-15)14(18)16-6-4-3-5-7-16/h13H,3-12H2,1-2H3
InChIKeyVVGMNWYLIZQNMV-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.87
Rot. Bonds2

About [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone

[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 70534208) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID70534208
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
SMILESCC(C)CN1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-13(2)12-15-8-10-17(11-9-15)14(18)16-6-4-3-5-7-16/h13H,3-12H2,1-2H3
InChIKeyVVGMNWYLIZQNMV-UHFFFAOYSA-N
XLogP1.87
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 116655615
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
4-methyl-1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721838
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 62777322

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone (CID 70534208) is [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone is CC(C)CN1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is VVGMNWYLIZQNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2)12-15-8-10-17(11-9-15)14(18)16-6-4-3-5-7-16/h13H,3-12H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone?
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 253.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70534208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).