N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C25H30F3N3O3 — CID 55499022

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N(C)C)c1
InChIInChI=1S/C25H30F3N3O3/c1-30(2)22(19-5-4-6-21(15-19)34-3)16-29-23(32)17-11-13-31(14-12-17)24(33)18-7-9-20(10-8-18)25(26,27)28/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,29,32)
InChIKeyUZKLOTOEFNZRAE-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.99
Rot. Bonds7

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55499022) has the molecular formula C25H30F3N3O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID55499022
Molecular FormulaC25H30F3N3O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N(C)C)c1
InChIInChI=1S/C25H30F3N3O3/c1-30(2)22(19-5-4-6-21(15-19)34-3)16-29-23(32)17-11-13-31(14-12-17)24(33)18-7-9-20(10-8-18)25(26,27)28/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,29,32)
InChIKeyUZKLOTOEFNZRAE-UHFFFAOYSA-N
XLogP3.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46451115
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26011918
1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 27772471
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134803034
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 42059906
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39956468
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 55499022) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is COc1cccc(C(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is UZKLOTOEFNZRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O3/c1-30(2)22(19-5-4-6-21(15-19)34-3)16-29-23(32)17-11-13-31(14-12-17)24(33)18-7-9-20(10-8-18)25(26,27)28/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,29,32).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55499022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).