1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid

C19H25F3N2O3 — CID 122000277

IUPAC1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C(NC(=O)N1CCC(C(=O)O)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H25F3N2O3/c1-18(2,3)15(13-5-4-6-14(11-13)19(20,21)22)23-17(27)24-9-7-12(8-10-24)16(25)26/h4-6,11-12,15H,7-10H2,1-3H3,(H,23,27)(H,25,26)
InChIKeySGZKCZIBTIBBSL-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.30
Rot. Bonds3

About 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid

1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122000277) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122000277
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C(NC(=O)N1CCC(C(=O)O)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H25F3N2O3/c1-18(2,3)15(13-5-4-6-14(11-13)19(20,21)22)23-17(27)24-9-7-12(8-10-24)16(25)26/h4-6,11-12,15H,7-10H2,1-3H3,(H,23,27)(H,25,26)
InChIKeySGZKCZIBTIBBSL-UHFFFAOYSA-N
XLogP4.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122005301
1-[[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000122
(3S)-1-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124693007
(3S)-1-[(3S)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124688507
1-[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4006339
1-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004719
3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 119771346
1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3553835
1-[(5-bromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4265810
(3R)-1-[(2S)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 125148409
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid (CID 122000277) is 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid is CC(C)(C)C(NC(=O)N1CCC(C(=O)O)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is SGZKCZIBTIBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-18(2,3)15(13-5-4-6-14(11-13)19(20,21)22)23-17(27)24-9-7-12(8-10-24)16(25)26/h4-6,11-12,15H,7-10H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122000277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).