(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone

C16H31N3O — CID 58904724

IUPAC(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)17-7-5-15(6-8-17)16(20)19-11-9-18(10-12-19)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyZEQDTQFGLOGNDY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.66
Rot. Bonds3

About (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone

(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 58904724) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID58904724
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)17-7-5-15(6-8-17)16(20)19-11-9-18(10-12-19)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyZEQDTQFGLOGNDY-UHFFFAOYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone (CID 58904724) is (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)N1CCC(C(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is ZEQDTQFGLOGNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)17-7-5-15(6-8-17)16(20)19-11-9-18(10-12-19)14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone?
(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 58904724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).