1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one

C19H27N3O2 — CID 46335586

IUPAC1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESCCN1CCN(C2CCN(C(=O)CCc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-2-20-14-15-22(19(20)24)17-10-12-21(13-11-17)18(23)9-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3
InChIKeyNXXXWGWCYNWSJM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.37
Rot. Bonds5

About 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one

1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 46335586) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID46335586
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESCCN1CCN(C2CCN(C(=O)CCc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-2-20-14-15-22(19(20)24)17-10-12-21(13-11-17)18(23)9-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3
InChIKeyNXXXWGWCYNWSJM-UHFFFAOYSA-N
XLogP2.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-benzyl-3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 50789384
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 50789347
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one (CID 46335586) is 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one is CCN1CCN(C2CCN(C(=O)CCc3ccccc3)CC2)C1=O.
What is the InChIKey of 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is NXXXWGWCYNWSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-20-14-15-22(19(20)24)17-10-12-21(13-11-17)18(23)9-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3.
What are the key properties of 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 46335586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).