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

C19H31N3O2 — CID 53186119

IUPAC3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCC(COC)CC2)ccn1
InChIInChI=1S/C19H31N3O2/c1-4-21(5-2)18-14-16(8-11-20-18)6-7-19(23)22-12-9-17(10-13-22)15-24-3/h8,11,14,17H,4-7,9-10,12-13,15H2,1-3H3
InChIKeyBNIFBVADQKVXLY-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.75
Rot. Bonds8

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

3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 53186119) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID53186119
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCC(COC)CC2)ccn1
InChIInChI=1S/C19H31N3O2/c1-4-21(5-2)18-14-16(8-11-20-18)6-7-19(23)22-12-9-17(10-13-22)15-24-3/h8,11,14,17H,4-7,9-10,12-13,15H2,1-3H3
InChIKeyBNIFBVADQKVXLY-UHFFFAOYSA-N
XLogP2.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one (CID 53186119) is 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one is CCN(CC)c1cc(CCC(=O)N2CCC(COC)CC2)ccn1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is BNIFBVADQKVXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-21(5-2)18-14-16(8-11-20-18)6-7-19(23)22-12-9-17(10-13-22)15-24-3/h8,11,14,17H,4-7,9-10,12-13,15H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 333.48 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53186119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).