2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide

C24H29F3N4O2 — CID 31939528

IUPAC2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H29F3N4O2/c1-16(2)14-20(29-22(32)19-7-5-4-6-17(19)3)23(33)31-12-10-30(11-13-31)21-9-8-18(15-28-21)24(25,26)27/h4-9,15-16,20H,10-14H2,1-3H3,(H,29,32)/t20-/m1/s1
InChIKeyJMLUAJHPGUKENU-HXUWFJFHSA-N
MW462.52 g/mol
LogP3.90
Rot. Bonds6

About 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide

2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide (PubChem CID 31939528) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide
PubChem CID31939528
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H29F3N4O2/c1-16(2)14-20(29-22(32)19-7-5-4-6-17(19)3)23(33)31-12-10-30(11-13-31)21-9-8-18(15-28-21)24(25,26)27/h4-9,15-16,20H,10-14H2,1-3H3,(H,29,32)/t20-/m1/s1
InChIKeyJMLUAJHPGUKENU-HXUWFJFHSA-N
XLogP3.90
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78774150
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254579
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573
N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9146696
N-[(2S)-1-oxo-3-phenyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 24546080
N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]propanamide
CID 37096307
4-chloro-N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-2-yl]benzamide
CID 31615982
4-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-1-one
CID 78772282
N-[3-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]butan-2-yl]acetamide
CID 46692364
[2-(2-methoxyethoxy)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55997456
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide (CID 31939528) is 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide?
The InChIKey is JMLUAJHPGUKENU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-16(2)14-20(29-22(32)19-7-5-4-6-17(19)3)23(33)31-12-10-30(11-13-31)21-9-8-18(15-28-21)24(25,26)27/h4-9,15-16,20H,10-14H2,1-3H3,(H,29,32)/t20-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide?
2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide has a molecular weight of 462.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 31939528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).