N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C18H22F3N3O2 — CID 171904115

IUPACN-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)[C@@H](N)CC[C@H]2NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C18H22F3N3O2/c1-9-2-3-10-12(8-9)13(22)5-6-14(10)23-16(25)11-4-7-15(18(19,20)21)24-17(11)26/h2-3,8,11,13-15H,4-7,22H2,1H3,(H,23,25)(H,24,26)/t11?,13-,14+,15?/m0/s1
InChIKeyFHJYSWPDFQGFTI-PIBLMLOJSA-N
MW369.39 g/mol
LogP2.40
Rot. Bonds2

About N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171904115) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171904115
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)[C@@H](N)CC[C@H]2NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C18H22F3N3O2/c1-9-2-3-10-12(8-9)13(22)5-6-14(10)23-16(25)11-4-7-15(18(19,20)21)24-17(11)26/h2-3,8,11,13-15H,4-7,22H2,1H3,(H,23,25)(H,24,26)/t11?,13-,14+,15?/m0/s1
InChIKeyFHJYSWPDFQGFTI-PIBLMLOJSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171904115) is N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is Cc1ccc2c(c1)[C@@H](N)CC[C@H]2NC(=O)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is FHJYSWPDFQGFTI-PIBLMLOJSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-9-2-3-10-12(8-9)13(22)5-6-14(10)23-16(25)11-4-7-15(18(19,20)21)24-17(11)26/h2-3,8,11,13-15H,4-7,22H2,1H3,(H,23,25)(H,24,26)/t11?,13-,14+,15?/m0/s1.
What are the key properties of N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171904115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).