N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide

C22H33N3O7S — CID 3708169

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)c(OC)c1
InChIInChI=1S/C22H33N3O7S/c1-29-19-4-3-18(20(15-19)30-2)16-23-21(26)17-5-9-24(10-6-17)33(27,28)25-11-7-22(8-12-25)31-13-14-32-22/h3-4,15,17H,5-14,16H2,1-2H3,(H,23,26)
InChIKeyDSODRKXRNZERCS-UHFFFAOYSA-N
MW483.59 g/mol
LogP1.12
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 3708169) has the molecular formula C22H33N3O7S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
PubChem CID3708169
Molecular FormulaC22H33N3O7S
Molecular Weight483.59 g/mol
Exact Mass483.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)c(OC)c1
InChIInChI=1S/C22H33N3O7S/c1-29-19-4-3-18(20(15-19)30-2)16-23-21(26)17-5-9-24(10-6-17)33(27,28)25-11-7-22(8-12-25)31-13-14-32-22/h3-4,15,17H,5-14,16H2,1-2H3,(H,23,26)
InChIKeyDSODRKXRNZERCS-UHFFFAOYSA-N
XLogP1.12
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55577918
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3912331
4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 24951842
(3S)-N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 92687016
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
1-ethylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94049674

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide (CID 3708169) is N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is DSODRKXRNZERCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O7S/c1-29-19-4-3-18(20(15-19)30-2)16-23-21(26)17-5-9-24(10-6-17)33(27,28)25-11-7-22(8-12-25)31-13-14-32-22/h3-4,15,17H,5-14,16H2,1-2H3,(H,23,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 3708169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).