1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one

C18H25N3O3 — CID 95582733

IUPAC1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
SMILESCCO[C@@H](C(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-2-24-16(14-6-4-3-5-7-14)17(22)20-11-8-15(9-12-20)21-13-10-19-18(21)23/h3-7,15-16H,2,8-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyZHNZXDSLIQPGGS-MRXNPFEDSA-N
MW331.42 g/mol
LogP1.78
Rot. Bonds5

About 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 95582733) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID95582733
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
SMILESCCO[C@@H](C(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-2-24-16(14-6-4-3-5-7-14)17(22)20-11-8-15(9-12-20)21-13-10-19-18(21)23/h3-7,15-16H,2,8-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyZHNZXDSLIQPGGS-MRXNPFEDSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one (CID 95582733) is 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one is CCO[C@@H](C(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1.
What is the InChIKey of 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is ZHNZXDSLIQPGGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-24-16(14-6-4-3-5-7-14)17(22)20-11-8-15(9-12-20)21-13-10-19-18(21)23/h3-7,15-16H,2,8-13H2,1H3,(H,19,23)/t16-/m1/s1.
What are the key properties of 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 95582733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).