N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide

C19H26ClF3N2O — CID 45228946

IUPACN-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(CCCC(F)(F)F)C1)NCc1ccccc1Cl
InChIInChI=1S/C19H26ClF3N2O/c20-17-7-2-1-6-16(17)13-24-18(26)9-8-15-5-3-11-25(14-15)12-4-10-19(21,22)23/h1-2,6-7,15H,3-5,8-14H2,(H,24,26)
InChIKeyIOVXAIAEROZHIO-UHFFFAOYSA-N
MW390.88 g/mol
LogP4.79
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide (PubChem CID 45228946) has the molecular formula C19H26ClF3N2O and a molecular weight of 390.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
PubChem CID45228946
Molecular FormulaC19H26ClF3N2O
Molecular Weight390.88 g/mol
Exact Mass390.17
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(CCCC(F)(F)F)C1)NCc1ccccc1Cl
InChIInChI=1S/C19H26ClF3N2O/c20-17-7-2-1-6-16(17)13-24-18(26)9-8-15-5-3-11-25(14-15)12-4-10-19(21,22)23/h1-2,6-7,15H,3-5,8-14H2,(H,24,26)
InChIKeyIOVXAIAEROZHIO-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide (CID 45228946) is N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(CCCC(F)(F)F)C1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide?
The InChIKey is IOVXAIAEROZHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClF3N2O/c20-17-7-2-1-6-16(17)13-24-18(26)9-8-15-5-3-11-25(14-15)12-4-10-19(21,22)23/h1-2,6-7,15H,3-5,8-14H2,(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide has a molecular weight of 390.88 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45228946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).