N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C25H29F3N4O3 — CID 166062567

IUPACN-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(O)Cc2ccc(Nc3ccc(N4CCCCC4)cc3)cc2C(F)(F)F)CC1=O
InChIInChI=1S/C25H29F3N4O3/c1-30-15-18(13-23(30)33)24(34)32(35)16-17-5-6-20(14-22(17)25(26,27)28)29-19-7-9-21(10-8-19)31-11-3-2-4-12-31/h5-10,14,18,29,35H,2-4,11-13,15-16H2,1H3
InChIKeyVKGJWSKTWNOYGK-UHFFFAOYSA-N
MW490.53 g/mol
LogP4.64
Rot. Bonds6

About N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 166062567) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID166062567
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC NameN-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(O)Cc2ccc(Nc3ccc(N4CCCCC4)cc3)cc2C(F)(F)F)CC1=O
InChIInChI=1S/C25H29F3N4O3/c1-30-15-18(13-23(30)33)24(34)32(35)16-17-5-6-20(14-22(17)25(26,27)28)29-19-7-9-21(10-8-19)31-11-3-2-4-12-31/h5-10,14,18,29,35H,2-4,11-13,15-16H2,1H3
InChIKeyVKGJWSKTWNOYGK-UHFFFAOYSA-N
XLogP4.64
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 166062623
2-(4-methylpiperazin-1-yl)-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 166062469
N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168752955
N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide
CID 168752934
1-ethyl-N-[[2-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062458
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189877
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94090987
1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113190810
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 166062567) is N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is CN1CC(C(=O)N(O)Cc2ccc(Nc3ccc(N4CCCCC4)cc3)cc2C(F)(F)F)CC1=O.
What is the InChIKey of N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is VKGJWSKTWNOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c1-30-15-18(13-23(30)33)24(34)32(35)16-17-5-6-20(14-22(17)25(26,27)28)29-19-7-9-21(10-8-19)31-11-3-2-4-12-31/h5-10,14,18,29,35H,2-4,11-13,15-16H2,1H3.
What are the key properties of N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166062567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).