N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C20H21F3N4O2 — CID 42850057

IUPACN-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-2-18(28)27-10-8-26(9-11-27)17-7-6-16(13-24-17)25-19(29)14-4-3-5-15(12-14)20(21,22)23/h3-7,12-13H,2,8-11H2,1H3,(H,25,29)
InChIKeyBTFOAIDFZQEBLR-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.41
Rot. Bonds4

About N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 42850057) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID42850057
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-2-18(28)27-10-8-26(9-11-27)17-7-6-16(13-24-17)25-19(29)14-4-3-5-15(12-14)20(21,22)23/h3-7,12-13H,2,8-11H2,1H3,(H,25,29)
InChIKeyBTFOAIDFZQEBLR-UHFFFAOYSA-N
XLogP3.41
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857015
N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 46053254
N-[6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42856885
N-[6-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857423
benzyl 4-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 46053261
4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 46053857
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857590
N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 42767036
ethyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014225
3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46053043

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 42850057) is N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1.
What is the InChIKey of N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BTFOAIDFZQEBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-2-18(28)27-10-8-26(9-11-27)17-7-6-16(13-24-17)25-19(29)14-4-3-5-15(12-14)20(21,22)23/h3-7,12-13H,2,8-11H2,1H3,(H,25,29).
What are the key properties of N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 406.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42850057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).