1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one

C19H27N3O3 — CID 56816833

IUPAC1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESCC1CC1c1ccc(CCC(=O)N2CCC(N3CCNC3=O)CC2)o1
InChIInChI=1S/C19H27N3O3/c1-13-12-16(13)17-4-2-15(25-17)3-5-18(23)21-9-6-14(7-10-21)22-11-8-20-19(22)24/h2,4,13-14,16H,3,5-12H2,1H3,(H,20,24)
InChIKeyBETBWQKDDAFEFA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.35
Rot. Bonds5

About 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56816833) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56816833
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESCC1CC1c1ccc(CCC(=O)N2CCC(N3CCNC3=O)CC2)o1
InChIInChI=1S/C19H27N3O3/c1-13-12-16(13)17-4-2-15(25-17)3-5-18(23)21-9-6-14(7-10-21)22-11-8-20-19(22)24/h2,4,13-14,16H,3,5-12H2,1H3,(H,20,24)
InChIKeyBETBWQKDDAFEFA-UHFFFAOYSA-N
XLogP2.35
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 94628029
3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one
CID 63089357
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 94029312
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94120307
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 98761551
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71942741
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 100843466
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71927931
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 55447919

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one (CID 56816833) is 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one is CC1CC1c1ccc(CCC(=O)N2CCC(N3CCNC3=O)CC2)o1.
What is the InChIKey of 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is BETBWQKDDAFEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-12-16(13)17-4-2-15(25-17)3-5-18(23)21-9-6-14(7-10-21)22-11-8-20-19(22)24/h2,4,13-14,16H,3,5-12H2,1H3,(H,20,24).
What are the key properties of 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56816833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).