3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one

C18H29N3O — CID 53186152

IUPAC3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCC(C)CC2)ccn1
InChIInChI=1S/C18H29N3O/c1-4-20(5-2)17-14-16(8-11-19-17)6-7-18(22)21-12-9-15(3)10-13-21/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3
InChIKeyALCGNNNTBHCNHU-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.12
Rot. Bonds6

About 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one

3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 53186152) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID53186152
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCC(C)CC2)ccn1
InChIInChI=1S/C18H29N3O/c1-4-20(5-2)17-14-16(8-11-19-17)6-7-18(22)21-12-9-15(3)10-13-21/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3
InChIKeyALCGNNNTBHCNHU-UHFFFAOYSA-N
XLogP3.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 53186152) is 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one is CCN(CC)c1cc(CCC(=O)N2CCC(C)CC2)ccn1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ALCGNNNTBHCNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-20(5-2)17-14-16(8-11-19-17)6-7-18(22)21-12-9-15(3)10-13-21/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one?
3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-pyridinyl]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 53186152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).