1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one

C18H27N5O2 — CID 48661370

IUPAC1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
SMILESCCN(CC)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cn1
InChIInChI=1S/C18H27N5O2/c1-3-21(4-2)16-6-5-14(13-20-16)17(24)22-10-7-15(8-11-22)23-12-9-19-18(23)25/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,25)
InChIKeyZWAJPHLQMZJZIF-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.56
Rot. Bonds5

About 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 48661370) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID48661370
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
SMILESCCN(CC)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cn1
InChIInChI=1S/C18H27N5O2/c1-3-21(4-2)16-6-5-14(13-20-16)17(24)22-10-7-15(8-11-22)23-12-9-19-18(23)25/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,25)
InChIKeyZWAJPHLQMZJZIF-UHFFFAOYSA-N
XLogP1.56
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one (CID 48661370) is 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one is CCN(CC)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cn1.
What is the InChIKey of 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is ZWAJPHLQMZJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-21(4-2)16-6-5-14(13-20-16)17(24)22-10-7-15(8-11-22)23-12-9-19-18(23)25/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,25).
What are the key properties of 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 48661370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).