N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C18H26N2O4S — CID 91631305

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOC1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)Cc2ccccc2C1
InChIInChI=1S/C18H26N2O4S/c1-24-18(11-15-5-3-4-6-16(15)12-18)13-19-17(21)14-7-9-20(10-8-14)25(2,22)23/h3-6,14H,7-13H2,1-2H3,(H,19,21)
InChIKeyDGGADBOUCBIAPV-UHFFFAOYSA-N
MW366.48 g/mol
LogP0.96
Rot. Bonds5

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 91631305) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID91631305
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOC1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)Cc2ccccc2C1
InChIInChI=1S/C18H26N2O4S/c1-24-18(11-15-5-3-4-6-16(15)12-18)13-19-17(21)14-7-9-20(10-8-14)25(2,22)23/h3-6,14H,7-13H2,1-2H3,(H,19,21)
InChIKeyDGGADBOUCBIAPV-UHFFFAOYSA-N
XLogP0.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(2-fluorophenyl)-2-methoxypropyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71810637
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71782164
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97428385
N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97428386
N-(2-hydroxy-2-methyl-4-phenylbutyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 56764267
N-(2-methoxy-2-(o-tolyl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71810499
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]acetamide
CID 91631256
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]cyclopropanecarboxamide
CID 91631258
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]cyclobutanecarboxamide
CID 91631259
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]-3-methylbutanamide
CID 91631260

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 91631305) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is COC1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DGGADBOUCBIAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-24-18(11-15-5-3-4-6-16(15)12-18)13-19-17(21)14-7-9-20(10-8-14)25(2,22)23/h3-6,14H,7-13H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 91631305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).