(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide

C15H18ClF3N2O3 — CID 51945098

IUPAC(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C15H18ClF3N2O3/c1-23-12-7-13(24-2)11(6-10(12)16)20-14(22)21-5-3-4-9(8-21)15(17,18)19/h6-7,9H,3-5,8H2,1-2H3,(H,20,22)/t9-/m0/s1
InChIKeyDHYANUBZUSFUSQ-VIFPVBQESA-N
MW366.77 g/mol
LogP4.16
Rot. Bonds3

About (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide

(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 51945098) has the molecular formula C15H18ClF3N2O3 and a molecular weight of 366.77 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID51945098
Molecular FormulaC15H18ClF3N2O3
Molecular Weight366.77 g/mol
Exact Mass366.10
IUPAC Name(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C15H18ClF3N2O3/c1-23-12-7-13(24-2)11(6-10(12)16)20-14(22)21-5-3-4-9(8-21)15(17,18)19/h6-7,9H,3-5,8H2,1-2H3,(H,20,22)/t9-/m0/s1
InChIKeyDHYANUBZUSFUSQ-VIFPVBQESA-N
XLogP4.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
N-(5-chloro-2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 23934669
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3858032
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide (CID 51945098) is (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide is COc1cc(OC)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Cl.
What is the InChIKey of (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is DHYANUBZUSFUSQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18ClF3N2O3/c1-23-12-7-13(24-2)11(6-10(12)16)20-14(22)21-5-3-4-9(8-21)15(17,18)19/h6-7,9H,3-5,8H2,1-2H3,(H,20,22)/t9-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 366.77 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 51945098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).