N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

C19H29FN2O3S — CID 20968387

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESCC1CCCC(C)N1CCNC(=O)CCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C19H29FN2O3S/c1-15-6-5-7-16(2)22(15)12-11-21-19(23)10-13-26(24,25)14-17-8-3-4-9-18(17)20/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3,(H,21,23)
InChIKeyXCJBJBJLJHSANJ-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.51
Rot. Bonds8

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 20968387) has the molecular formula C19H29FN2O3S and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
PubChem CID20968387
Molecular FormulaC19H29FN2O3S
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESCC1CCCC(C)N1CCNC(=O)CCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C19H29FN2O3S/c1-15-6-5-7-16(2)22(15)12-11-21-19(23)10-13-26(24,25)14-17-8-3-4-9-18(17)20/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3,(H,21,23)
InChIKeyXCJBJBJLJHSANJ-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (CID 20968387) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is CC1CCCC(C)N1CCNC(=O)CCS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is XCJBJBJLJHSANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3S/c1-15-6-5-7-16(2)22(15)12-11-21-19(23)10-13-26(24,25)14-17-8-3-4-9-18(17)20/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 384.52 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 20968387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).