N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide

C30H30F3N3O3 — CID 171678314

IUPACN-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide
SMILESCc1c(C(=O)N2CCC(c3ccc(NC(=O)CN(C)C(=O)c4ccccc4)cc3)CC2)cccc1C(F)(F)F
InChIInChI=1S/C30H30F3N3O3/c1-20-25(9-6-10-26(20)30(31,32)33)29(39)36-17-15-22(16-18-36)21-11-13-24(14-12-21)34-27(37)19-35(2)28(38)23-7-4-3-5-8-23/h3-14,22H,15-19H2,1-2H3,(H,34,37)
InChIKeyDLTCKKPNXXUTBP-UHFFFAOYSA-N
MW537.58 g/mol
LogP5.74
Rot. Bonds6

About N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide

N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide (PubChem CID 171678314) has the molecular formula C30H30F3N3O3 and a molecular weight of 537.58 g/mol. Its IUPAC name is N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide
PubChem CID171678314
Molecular FormulaC30H30F3N3O3
Molecular Weight537.58 g/mol
Exact Mass537.22
IUPAC NameN-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide
SMILESCc1c(C(=O)N2CCC(c3ccc(NC(=O)CN(C)C(=O)c4ccccc4)cc3)CC2)cccc1C(F)(F)F
InChIInChI=1S/C30H30F3N3O3/c1-20-25(9-6-10-26(20)30(31,32)33)29(39)36-17-15-22(16-18-36)21-11-13-24(14-12-21)34-27(37)19-35(2)28(38)23-7-4-3-5-8-23/h3-14,22H,15-19H2,1-2H3,(H,34,37)
InChIKeyDLTCKKPNXXUTBP-UHFFFAOYSA-N
XLogP5.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.58
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide
CID 171698758
N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide
CID 171678139
N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide
CID 166406699
ethane;1-[4-[1-[5-(trifluoromethyl)naphthalene-1-carbonyl]piperidin-4-yl]phenyl]ethanone
CID 176576308
N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 46415747
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18112338
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
4-(4-methylphenyl)-4-oxo-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]butanamide
CID 108552068
[4-(2-methoxyphenyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 2728063
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide (CID 171678314) is N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide is Cc1c(C(=O)N2CCC(c3ccc(NC(=O)CN(C)C(=O)c4ccccc4)cc3)CC2)cccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide?
The InChIKey is DLTCKKPNXXUTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O3/c1-20-25(9-6-10-26(20)30(31,32)33)29(39)36-17-15-22(16-18-36)21-11-13-24(14-12-21)34-27(37)19-35(2)28(38)23-7-4-3-5-8-23/h3-14,22H,15-19H2,1-2H3,(H,34,37).
What are the key properties of N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide?
N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide has a molecular weight of 537.58 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 171678314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).