[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone

C16H30N4O — CID 166948032

IUPAC[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESCN1CCC(N2CCN(C(=O)C3CCNCC3)CC2)CC1
InChIInChI=1S/C16H30N4O/c1-18-8-4-15(5-9-18)19-10-12-20(13-11-19)16(21)14-2-6-17-7-3-14/h14-15,17H,2-13H2,1H3
InChIKeyRNORIZLBRHJDMJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.22
Rot. Bonds2

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

[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 166948032) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID166948032
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESCN1CCC(N2CCN(C(=O)C3CCNCC3)CC2)CC1
InChIInChI=1S/C16H30N4O/c1-18-8-4-15(5-9-18)19-10-12-20(13-11-19)16(21)14-2-6-17-7-3-14/h14-15,17H,2-13H2,1H3
InChIKeyRNORIZLBRHJDMJ-UHFFFAOYSA-N
XLogP0.22
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone (CID 166948032) is [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone is CN1CCC(N2CCN(C(=O)C3CCNCC3)CC2)CC1.
What is the InChIKey of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is RNORIZLBRHJDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-18-8-4-15(5-9-18)19-10-12-20(13-11-19)16(21)14-2-6-17-7-3-14/h14-15,17H,2-13H2,1H3.
What are the key properties of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 294.44 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 166948032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).