N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide

C23H32N2O5S — CID 166433367

IUPACN-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(S(C)(=O)=NC(=O)C3CCOC4(CCC4)C3)CC2)c1
InChIInChI=1S/C23H32N2O5S/c1-29-19-6-3-5-17(15-19)22(27)25-12-7-20(8-13-25)31(2,28)24-21(26)18-9-14-30-23(16-18)10-4-11-23/h3,5-6,15,18,20H,4,7-14,16H2,1-2H3
InChIKeyQHCLNVIEYAGIGA-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.27
Rot. Bonds4

About N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide

N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide (PubChem CID 166433367) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide
PubChem CID166433367
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC NameN-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(S(C)(=O)=NC(=O)C3CCOC4(CCC4)C3)CC2)c1
InChIInChI=1S/C23H32N2O5S/c1-29-19-6-3-5-17(15-19)22(27)25-12-7-20(8-13-25)31(2,28)24-21(26)18-9-14-30-23(16-18)10-4-11-23/h3,5-6,15,18,20H,4,7-14,16H2,1-2H3
InChIKeyQHCLNVIEYAGIGA-UHFFFAOYSA-N
XLogP3.27
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
1-[(5R,9S)-2-(3-methoxybenzoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97476789
[4-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 95718703
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
(3-methoxyphenyl)-[3-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122132316
(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone
CID 70732555
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide (CID 166433367) is N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide is COc1cccc(C(=O)N2CCC(S(C)(=O)=NC(=O)C3CCOC4(CCC4)C3)CC2)c1.
What is the InChIKey of N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide?
The InChIKey is QHCLNVIEYAGIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-29-19-6-3-5-17(15-19)22(27)25-12-7-20(8-13-25)31(2,28)24-21(26)18-9-14-30-23(16-18)10-4-11-23/h3,5-6,15,18,20H,4,7-14,16H2,1-2H3.
What are the key properties of N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide?
N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 166433367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).