1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one

C18H25N3O2S — CID 95585851

IUPAC1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C18H25N3O2S/c22-17(16-11-13-5-2-1-3-7-15(13)24-16)20-9-4-6-14(12-20)21-10-8-19-18(21)23/h11,14H,1-10,12H2,(H,19,23)/t14-/m0/s1
InChIKeyJTJZPPZVIALDCY-AWEZNQCLSA-N
MW347.48 g/mol
LogP2.65
Rot. Bonds2

About 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 95585851) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID95585851
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C18H25N3O2S/c22-17(16-11-13-5-2-1-3-7-15(13)24-16)20-9-4-6-14(12-20)21-10-8-19-18(21)23/h11,14H,1-10,12H2,(H,19,23)/t14-/m0/s1
InChIKeyJTJZPPZVIALDCY-AWEZNQCLSA-N
XLogP2.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 119378461
(3-aminopiperidin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
CID 119378375
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317
[3-(methylamino)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 62536195
[3-(hydroxymethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43403274
[(3R)-3-aminopyrrolidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 81469860
3-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71936111
4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-2-one
CID 62896462
methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
1,4-diazepan-1-yl(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 119415407
pyrrolidin-1-yl-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 55527772

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one (CID 95585851) is 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one is O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](N2CCNC2=O)C1.
What is the InChIKey of 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is JTJZPPZVIALDCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-17(16-11-13-5-2-1-3-7-15(13)24-16)20-9-4-6-14(12-20)21-10-8-19-18(21)23/h11,14H,1-10,12H2,(H,19,23)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 347.48 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95585851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).