6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide

C23H31F6N3O3 — CID 23574828

IUPAC6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide
SMILESCC(OCC1(C)CCC(NC(=O)C(C)(C)C)(C(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H31F6N3O3/c1-13(14-8-15(22(24,25)26)10-16(9-14)23(27,28)29)35-12-20(5)6-7-21(11-31-20,17(30)33)32-18(34)19(2,3)4/h8-10,13,31H,6-7,11-12H2,1-5H3,(H2,30,33)(H,32,34)
InChIKeyVXEDNSJRZONPAV-UHFFFAOYSA-N
MW511.51 g/mol
LogP4.33
Rot. Bonds6

About 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide

6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide (PubChem CID 23574828) has the molecular formula C23H31F6N3O3 and a molecular weight of 511.51 g/mol. Its IUPAC name is 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide
PubChem CID23574828
Molecular FormulaC23H31F6N3O3
Molecular Weight511.51 g/mol
Exact Mass511.23
IUPAC Name6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide
SMILESCC(OCC1(C)CCC(NC(=O)C(C)(C)C)(C(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H31F6N3O3/c1-13(14-8-15(22(24,25)26)10-16(9-14)23(27,28)29)35-12-20(5)6-7-21(11-31-20,17(30)33)32-18(34)19(2,3)4/h8-10,13,31H,6-7,11-12H2,1-5H3,(H2,30,33)(H,32,34)
InChIKeyVXEDNSJRZONPAV-UHFFFAOYSA-N
XLogP4.33
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(carbamoylamino)-6-methylpiperidine-3-carboxamide
CID 58633900
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3,6-dimethylpiperidin-3-ol
CID 23574831
(3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide
CID 88948005
N-[(3S,6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-carbamoyl-6-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 88916455
(5R,8R)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-methyl-3-oxa-1,9-diazaspiro[4.5]decan-2-one
CID 58633748
N-[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]-2-chloroacetamide
CID 23574934
[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate
CID 58633917
N-[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]cyclopropanecarboxamide
CID 58633833
[8-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-8-methyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-3-yl]phosphonic acid
CID 23574880
(3R,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-6-phenylpiperidine-3-carboxamide
CID 88948007
(3R,6S)-3-acetamido-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-6-phenylpiperidine-3-carboxamide
CID 88969422
1-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]-3-(chloromethyl)urea
CID 59088548

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide (CID 23574828) is 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide is CC(OCC1(C)CCC(NC(=O)C(C)(C)C)(C(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide?
The InChIKey is VXEDNSJRZONPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F6N3O3/c1-13(14-8-15(22(24,25)26)10-16(9-14)23(27,28)29)35-12-20(5)6-7-21(11-31-20,17(30)33)32-18(34)19(2,3)4/h8-10,13,31H,6-7,11-12H2,1-5H3,(H2,30,33)(H,32,34).
What are the key properties of 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide?
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide has a molecular weight of 511.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 23574828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).