(2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide

C25H31F3N2O — CID 126711688

IUPAC(2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCCN1CCC([C@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H31F3N2O/c1-2-3-14-30-15-12-20(13-16-30)23(17-19-8-5-4-6-9-19)24(31)29-22-11-7-10-21(18-22)25(26,27)28/h4-11,18,20,23H,2-3,12-17H2,1H3,(H,29,31)/t23-/m0/s1
InChIKeyRIKZDNLMYSLFGE-QHCPKHFHSA-N
MW432.53 g/mol
LogP6.01
Rot. Bonds8

About (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide

(2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 126711688) has the molecular formula C25H31F3N2O and a molecular weight of 432.53 g/mol. Its IUPAC name is (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID126711688
Molecular FormulaC25H31F3N2O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name(2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCCN1CCC([C@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H31F3N2O/c1-2-3-14-30-15-12-20(13-16-30)23(17-19-8-5-4-6-9-19)24(31)29-22-11-7-10-21(18-22)25(26,27)28/h4-11,18,20,23H,2-3,12-17H2,1H3,(H,29,31)/t23-/m0/s1
InChIKeyRIKZDNLMYSLFGE-QHCPKHFHSA-N
XLogP6.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
1-benzyl-1-[1-(3-methylbutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696222
1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696237
1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157194086
1-benzyl-1-(1-butylsulfanylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 145278496
1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-ethylphenyl)urea
CID 126711576
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
methyl 2-[1-butyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]piperidin-4-yl]acetate
CID 126711641
2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
CID 91423185

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 126711688) is (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide is CCCCN1CCC([C@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RIKZDNLMYSLFGE-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31F3N2O/c1-2-3-14-30-15-12-20(13-16-30)23(17-19-8-5-4-6-9-19)24(31)29-22-11-7-10-21(18-22)25(26,27)28/h4-11,18,20,23H,2-3,12-17H2,1H3,(H,29,31)/t23-/m0/s1.
What are the key properties of (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 432.53 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 126711688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).