1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone

C18H32N2O — CID 58584549

IUPAC1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone
SMILESCC(C)C1(CC(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C18H32N2O/c1-15(2)18(8-9-18)14-17(21)20-12-6-16(7-13-20)19-10-4-3-5-11-19/h15-16H,3-14H2,1-2H3
InChIKeyGYZZNKDWAOJJKT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone

1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone (PubChem CID 58584549) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone
PubChem CID58584549
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone
SMILESCC(C)C1(CC(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C18H32N2O/c1-15(2)18(8-9-18)14-17(21)20-12-6-16(7-13-20)19-10-4-3-5-11-19/h15-16H,3-14H2,1-2H3
InChIKeyGYZZNKDWAOJJKT-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone?
The IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone (CID 58584549) is 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone.
What is the SMILES notation for 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone?
The canonical SMILES for 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone is CC(C)C1(CC(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone?
The InChIKey is GYZZNKDWAOJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)18(8-9-18)14-17(21)20-12-6-16(7-13-20)19-10-4-3-5-11-19/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone?
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone has a molecular weight of 292.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone is sourced from PubChem (CID 58584549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).