1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one

C18H23N3O4 — CID 95591095

IUPAC1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C18H23N3O4/c22-17(6-4-13-3-5-15-16(10-13)25-12-24-15)20-8-1-2-14(11-20)21-9-7-19-18(21)23/h3,5,10,14H,1-2,4,6-9,11-12H2,(H,19,23)/t14-/m0/s1
InChIKeyYGIQJOXVXXRXJU-AWEZNQCLSA-N
MW345.40 g/mol
LogP1.36
Rot. Bonds4

About 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 95591095) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID95591095
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C18H23N3O4/c22-17(6-4-13-3-5-15-16(10-13)25-12-24-15)20-8-1-2-14(11-20)21-9-7-19-18(21)23/h3,5,10,14H,1-2,4,6-9,11-12H2,(H,19,23)/t14-/m0/s1
InChIKeyYGIQJOXVXXRXJU-AWEZNQCLSA-N
XLogP1.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one with MolForge

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Related Compounds

1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821767
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224750
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 79029482
1-[(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 29217233
3-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 78081792
(1R,5S)-3-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133113910
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one
CID 31949439
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]propan-1-one
CID 42521512
3-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95228814
1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 95591002
3-(1,3-benzodioxol-5-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18153065
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperidine-3-carboxylic acid
CID 126786883

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one (CID 95591095) is 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one is O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](N2CCNC2=O)C1.
What is the InChIKey of 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is YGIQJOXVXXRXJU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-17(6-4-13-3-5-15-16(10-13)25-12-24-15)20-8-1-2-14(11-20)21-9-7-19-18(21)23/h3,5,10,14H,1-2,4,6-9,11-12H2,(H,19,23)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 345.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95591095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).