1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one

C18H21N3O2S — CID 95585674

IUPAC1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
SMILESCc1c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)sc2ccccc12
InChIInChI=1S/C18H21N3O2S/c1-12-14-6-2-3-7-15(14)24-16(12)17(22)20-9-4-5-13(11-20)21-10-8-19-18(21)23/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeySJHMWFKOTNRIAM-ZDUSSCGKSA-N
MW343.45 g/mol
LogP2.84
Rot. Bonds2

About 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 95585674) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID95585674
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
SMILESCc1c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)sc2ccccc12
InChIInChI=1S/C18H21N3O2S/c1-12-14-6-2-3-7-15(14)24-16(12)17(22)20-9-4-5-13(11-20)21-10-8-19-18(21)23/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeySJHMWFKOTNRIAM-ZDUSSCGKSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one (CID 95585674) is 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one is Cc1c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)sc2ccccc12.
What is the InChIKey of 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is SJHMWFKOTNRIAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-14-6-2-3-7-15(14)24-16(12)17(22)20-9-4-5-13(11-20)21-10-8-19-18(21)23/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 343.45 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95585674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).