N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide

C19H27ClN2O2 — CID 4025894

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide
SMILESCC1CC(C)CN(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O2/c1-14-11-15(2)13-22(12-14)19(24)8-7-18(23)21-10-9-16-3-5-17(20)6-4-16/h3-6,14-15H,7-13H2,1-2H3,(H,21,23)
InChIKeySXSITPWKYYSHRB-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide

N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide (PubChem CID 4025894) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide
PubChem CID4025894
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide
SMILESCC1CC(C)CN(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O2/c1-14-11-15(2)13-22(12-14)19(24)8-7-18(23)21-10-9-16-3-5-17(20)6-4-16/h3-6,14-15H,7-13H2,1-2H3,(H,21,23)
InChIKeySXSITPWKYYSHRB-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide (CID 4025894) is N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide is CC1CC(C)CN(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide?
The InChIKey is SXSITPWKYYSHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-14-11-15(2)13-22(12-14)19(24)8-7-18(23)21-10-9-16-3-5-17(20)6-4-16/h3-6,14-15H,7-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide?
N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide has a molecular weight of 350.89 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 4025894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).