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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Related Compounds

1-[1-[(2R)-2-[ethyl(methyl)amino]-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
CID 97099154
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119644444
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
N-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 94424196
(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
CID 124593206
8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95583523
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 120657713
1-[1-[2-(methylamino)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 54872430
(2S,3S)-1-(2-ethoxy-2-phenylacetyl)-2-methylpiperidine-3-carboxylic acid
CID 122114524
2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide
CID 95584791
1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136578666
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694

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).