2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide

C19H35N3O4S — CID 170757952

IUPAC2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide
SMILESCC(C)C(=O)N1CCC[C@@H](N(CC(=O)NS(C)(=O)=O)CC2CCCCC2)C1
InChIInChI=1S/C19H35N3O4S/c1-15(2)19(24)21-11-7-10-17(13-21)22(12-16-8-5-4-6-9-16)14-18(23)20-27(3,25)26/h15-17H,4-14H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyWTWOSNJFVURDAM-QGZVFWFLSA-N
MW401.57 g/mol
LogP1.59
Rot. Bonds7

About 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide

2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide (PubChem CID 170757952) has the molecular formula C19H35N3O4S and a molecular weight of 401.57 g/mol. Its IUPAC name is 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide
PubChem CID170757952
Molecular FormulaC19H35N3O4S
Molecular Weight401.57 g/mol
Exact Mass401.23
IUPAC Name2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide
SMILESCC(C)C(=O)N1CCC[C@@H](N(CC(=O)NS(C)(=O)=O)CC2CCCCC2)C1
InChIInChI=1S/C19H35N3O4S/c1-15(2)19(24)21-11-7-10-17(13-21)22(12-16-8-5-4-6-9-16)14-18(23)20-27(3,25)26/h15-17H,4-14H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyWTWOSNJFVURDAM-QGZVFWFLSA-N
XLogP1.59
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.57
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide?
The IUPAC name of 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide (CID 170757952) is 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide is CC(C)C(=O)N1CCC[C@@H](N(CC(=O)NS(C)(=O)=O)CC2CCCCC2)C1.
What is the InChIKey of 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide?
The InChIKey is WTWOSNJFVURDAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H35N3O4S/c1-15(2)19(24)21-11-7-10-17(13-21)22(12-16-8-5-4-6-9-16)14-18(23)20-27(3,25)26/h15-17H,4-14H2,1-3H3,(H,20,23)/t17-/m1/s1.
What are the key properties of 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide?
2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide has a molecular weight of 401.57 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide is sourced from PubChem (CID 170757952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).