N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide

C24H28ClF3N2O3 — CID 11634461

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide
SMILESCOc1ccc(C2CCCC(C)N2CCN(C=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C24H28ClF3N2O3/c1-16-5-4-6-21(17-7-10-22(32-2)23(13-17)33-3)30(16)12-11-29(15-31)18-8-9-20(25)19(14-18)24(26,27)28/h7-10,13-16,21H,4-6,11-12H2,1-3H3
InChIKeyDKZWQVVFWOIDKF-UHFFFAOYSA-N
MW484.95 g/mol
LogP5.95
Rot. Bonds8

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide (PubChem CID 11634461) has the molecular formula C24H28ClF3N2O3 and a molecular weight of 484.95 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide
PubChem CID11634461
Molecular FormulaC24H28ClF3N2O3
Molecular Weight484.95 g/mol
Exact Mass484.17
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide
SMILESCOc1ccc(C2CCCC(C)N2CCN(C=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C24H28ClF3N2O3/c1-16-5-4-6-21(17-7-10-22(32-2)23(13-17)33-3)30(16)12-11-29(15-31)18-8-9-20(25)19(14-18)24(26,27)28/h7-10,13-16,21H,4-6,11-12H2,1-3H3
InChIKeyDKZWQVVFWOIDKF-UHFFFAOYSA-N
XLogP5.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.95
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Mefeclorazine
CID 3064105
1-[2-(3,4-Dimethoxyphenyl)-1-methylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846426
1-(3-Chlorophenyl)-4-[1-(3,4-dimethoxybenzyl)-3-piperidinyl]piperazine
CID 23723620
(4aS,8R,8aS)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)methyl]-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 24747492
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 25161980
1-(4-Chlorophenyl)-4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]piperazine
CID 44454710
1-(3,4-Dimethoxy-benzyl)-4-(2-chlorophenyl)piperazine
CID 115944
1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine
CID 115945
Piperazine, 1-(m-chlorophenyl)-4-(3,4-dimethoxyphenethyl)-
CID 71066
Piperazine, 1-(4-chloro-3-(trifluoromethyl)phenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride
CID 3062152
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3000075
4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 9156702

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide (CID 11634461) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide is COc1ccc(C2CCCC(C)N2CCN(C=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide?
The InChIKey is DKZWQVVFWOIDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N2O3/c1-16-5-4-6-21(17-7-10-22(32-2)23(13-17)33-3)30(16)12-11-29(15-31)18-8-9-20(25)19(14-18)24(26,27)28/h7-10,13-16,21H,4-6,11-12H2,1-3H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide has a molecular weight of 484.95 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]formamide is sourced from PubChem (CID 11634461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).