(3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C14H23F3N4O2 — CID 97248845

IUPAC(3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CCN1CC(F)(F)F
InChIInChI=1S/C14H23F3N4O2/c1-10-7-20(5-6-21(10)9-14(15,16)17)13(23)18-11-3-4-12(22)19(2)8-11/h10-11H,3-9H2,1-2H3,(H,18,23)/t10-,11+/m0/s1
InChIKeyOZFUFFVLRYCLFQ-WDEREUQCSA-N
MW336.36 g/mol
LogP0.89
Rot. Bonds2

About (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

(3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 97248845) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID97248845
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name(3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CCN1CC(F)(F)F
InChIInChI=1S/C14H23F3N4O2/c1-10-7-20(5-6-21(10)9-14(15,16)17)13(23)18-11-3-4-12(22)19(2)8-11/h10-11H,3-9H2,1-2H3,(H,18,23)/t10-,11+/m0/s1
InChIKeyOZFUFFVLRYCLFQ-WDEREUQCSA-N
XLogP0.89
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97248908
2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 64667444
3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxylic acid
CID 174236619
3-methyl-N-(1-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75435678
4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 97159093
methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
CID 112617343
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 165157058
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
(2R)-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64667644
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide
CID 126423287
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 97248845) is (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CCN1CC(F)(F)F.
What is the InChIKey of (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is OZFUFFVLRYCLFQ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H23F3N4O2/c1-10-7-20(5-6-21(10)9-14(15,16)17)13(23)18-11-3-4-12(22)19(2)8-11/h10-11H,3-9H2,1-2H3,(H,18,23)/t10-,11+/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
(3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97248845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).