N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C22H27F3N4O — CID 9347917

IUPACN-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCCC[C@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1
InChIInChI=1S/C22H27F3N4O/c1-2-6-19(17-7-4-3-5-8-17)27-21(30)16-28-11-13-29(14-12-28)20-10-9-18(15-26-20)22(23,24)25/h3-5,7-10,15,19H,2,6,11-14,16H2,1H3,(H,27,30)/t19-/m0/s1
InChIKeyHQBODMOKOVDUHK-IBGZPJMESA-N
MW420.48 g/mol
LogP3.88
Rot. Bonds7

About N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 9347917) has the molecular formula C22H27F3N4O and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID9347917
Molecular FormulaC22H27F3N4O
Molecular Weight420.48 g/mol
Exact Mass420.21
IUPAC NameN-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCCC[C@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1
InChIInChI=1S/C22H27F3N4O/c1-2-6-19(17-7-4-3-5-8-17)27-21(30)16-28-11-13-29(14-12-28)20-10-9-18(15-26-20)22(23,24)25/h3-5,7-10,15,19H,2,6,11-14,16H2,1H3,(H,27,30)/t19-/m0/s1
InChIKeyHQBODMOKOVDUHK-IBGZPJMESA-N
XLogP3.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-4-phenylbutan-2-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288428
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
N-methyl-N-[(1S)-1-phenylethyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9347912
N-(1-naphthalen-1-ylethyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 46562781
N-butyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288574
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86868261
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 26653251
N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 51561809
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
N-(4-butan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 42913960
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 9347917) is N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is CCC[C@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is HQBODMOKOVDUHK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27F3N4O/c1-2-6-19(17-7-4-3-5-8-17)27-21(30)16-28-11-13-29(14-12-28)20-10-9-18(15-26-20)22(23,24)25/h3-5,7-10,15,19H,2,6,11-14,16H2,1H3,(H,27,30)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9347917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).