N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide

C19H26N2O5S — CID 46942438

IUPACN-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C19H26N2O5S/c1-19(18(23)20-27(24,25)16-8-9-16)10-5-11-21(14-19)17(22)13-26-12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,20,23)
InChIKeyWYVLYSQITZZDEH-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.44
Rot. Bonds7

About N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide

N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide (PubChem CID 46942438) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
PubChem CID46942438
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC NameN-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C19H26N2O5S/c1-19(18(23)20-27(24,25)16-8-9-16)10-5-11-21(14-19)17(22)13-26-12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,20,23)
InChIKeyWYVLYSQITZZDEH-UHFFFAOYSA-N
XLogP1.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide (CID 46942438) is N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide is CC1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)COCc2ccccc2)C1.
What is the InChIKey of N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide?
The InChIKey is WYVLYSQITZZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-19(18(23)20-27(24,25)16-8-9-16)10-5-11-21(14-19)17(22)13-26-12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,20,23).
What are the key properties of N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide?
N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 46942438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).