N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide

C20H29F3N2O — CID 56684587

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC1CCN(C(C)CNC(=O)CC(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H29F3N2O/c1-14-8-10-25(11-9-14)16(3)13-24-19(26)12-15(2)17-4-6-18(7-5-17)20(21,22)23/h4-7,14-16H,8-13H2,1-3H3,(H,24,26)
InChIKeyVMEDIUXAECSOTF-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.44
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide

N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 56684587) has the molecular formula C20H29F3N2O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID56684587
Molecular FormulaC20H29F3N2O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC1CCN(C(C)CNC(=O)CC(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H29F3N2O/c1-14-8-10-25(11-9-14)16(3)13-24-19(26)12-15(2)17-4-6-18(7-5-17)20(21,22)23/h4-7,14-16H,8-13H2,1-3H3,(H,24,26)
InChIKeyVMEDIUXAECSOTF-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide (CID 56684587) is N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide is CC1CCN(C(C)CNC(=O)CC(C)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is VMEDIUXAECSOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O/c1-14-8-10-25(11-9-14)16(3)13-24-19(26)12-15(2)17-4-6-18(7-5-17)20(21,22)23/h4-7,14-16H,8-13H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 370.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 56684587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).