1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide

C24H29N3O4S — CID 55634767

IUPAC1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C24H29N3O4S/c28-22(16-31-19-8-4-2-5-9-19)27-13-11-17(12-14-27)23(29)25-26-24(30)21-15-18-7-3-1-6-10-20(18)32-21/h2,4-5,8-9,15,17H,1,3,6-7,10-14,16H2,(H,25,29)(H,26,30)
InChIKeyYUUSYDYGXDUGSM-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide

1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 55634767) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID55634767
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C24H29N3O4S/c28-22(16-31-19-8-4-2-5-9-19)27-13-11-17(12-14-27)23(29)25-26-24(30)21-15-18-7-3-1-6-10-20(18)32-21/h2,4-5,8-9,15,17H,1,3,6-7,10-14,16H2,(H,25,29)(H,26,30)
InChIKeyYUUSYDYGXDUGSM-UHFFFAOYSA-N
XLogP3.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)piperidine-4-carboxamide
CID 41305146
N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide
CID 26040079
N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55631373
N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55634294
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
1-(1,3-benzoxazol-2-yl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 24607688
N'-[2-(4-methoxyphenoxy)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24643149
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7238600
3-(phenoxymethyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)furan-2-carbohydrazide
CID 43039911
[2-(azocan-1-yl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 55399485
N'-(1,1-dioxothiolane-3-carbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 55415997
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide (CID 55634767) is 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc2c(s1)CCCCC2.
What is the InChIKey of 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is YUUSYDYGXDUGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c28-22(16-31-19-8-4-2-5-9-19)27-13-11-17(12-14-27)23(29)25-26-24(30)21-15-18-7-3-1-6-10-20(18)32-21/h2,4-5,8-9,15,17H,1,3,6-7,10-14,16H2,(H,25,29)(H,26,30).
What are the key properties of 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide?
1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 455.58 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 55634767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).