1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C20H37N3O — CID 3229560

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C20H37N3O/c1-16-13-17(2)15-23(14-16)20(24)18(3)21-11-7-19(8-12-21)22-9-5-4-6-10-22/h16-19H,4-15H2,1-3H3
InChIKeyHNTWGRBLQRTXAK-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.83
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 3229560) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID3229560
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C20H37N3O/c1-16-13-17(2)15-23(14-16)20(24)18(3)21-11-7-19(8-12-21)22-9-5-4-6-10-22/h16-19H,4-15H2,1-3H3
InChIKeyHNTWGRBLQRTXAK-UHFFFAOYSA-N
XLogP2.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 3229560) is 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is CC1CC(C)CN(C(=O)C(C)N2CCC(N3CCCCC3)CC2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is HNTWGRBLQRTXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O/c1-16-13-17(2)15-23(14-16)20(24)18(3)21-11-7-19(8-12-21)22-9-5-4-6-10-22/h16-19H,4-15H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 335.54 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 3229560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).