(4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C23H24ClF3N4O2 — CID 27826301

IUPAC(4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C[C@@H](C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2=O)cc1
InChIInChI=1S/C23H24ClF3N4O2/c1-15-2-4-16(5-3-15)13-31-14-17(10-20(31)32)22(33)30-8-6-29(7-9-30)21-19(24)11-18(12-28-21)23(25,26)27/h2-5,11-12,17H,6-10,13-14H2,1H3/t17-/m0/s1
InChIKeyWMZDRHGIVVICKU-KRWDZBQOSA-N
MW480.92 g/mol
LogP3.76
Rot. Bonds4

About (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

(4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 27826301) has the molecular formula C23H24ClF3N4O2 and a molecular weight of 480.92 g/mol. Its IUPAC name is (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID27826301
Molecular FormulaC23H24ClF3N4O2
Molecular Weight480.92 g/mol
Exact Mass480.15
IUPAC Name(4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C[C@@H](C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2=O)cc1
InChIInChI=1S/C23H24ClF3N4O2/c1-15-2-4-16(5-3-15)13-31-14-17(10-20(31)32)22(33)30-8-6-29(7-9-30)21-19(24)11-18(12-28-21)23(25,26)27/h2-5,11-12,17H,6-10,13-14H2,1H3/t17-/m0/s1
InChIKeyWMZDRHGIVVICKU-KRWDZBQOSA-N
XLogP3.76
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112814492
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 55879779
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46109813
methyl 4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carbonyl]piperazine-1-carboxylate
CID 110208778
4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one
CID 143955885
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44756867
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[4-(piperidine-1-carbonyl)piperidin-1-yl]methanone
CID 112767126
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 27826301) is (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2C[C@@H](C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2=O)cc1.
What is the InChIKey of (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is WMZDRHGIVVICKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24ClF3N4O2/c1-15-2-4-16(5-3-15)13-31-14-17(10-20(31)32)22(33)30-8-6-29(7-9-30)21-19(24)11-18(12-28-21)23(25,26)27/h2-5,11-12,17H,6-10,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
(4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 480.92 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 27826301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).