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

C14H23F3N4O2 — CID 97248908

IUPAC(3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(=O)N1CC[C@@H](NC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)C1
InChIInChI=1S/C14H23F3N4O2/c1-10-7-20(5-6-21(10)9-14(15,16)17)13(23)18-12-3-4-19(8-12)11(2)22/h10,12H,3-9H2,1-2H3,(H,18,23)/t10-,12-/m1/s1
InChIKeyFKVQGPNQNMSCNZ-ZYHUDNBSSA-N
MW336.36 g/mol
LogP0.89
Rot. Bonds2

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

(3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 97248908) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID97248908
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name(3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(=O)N1CC[C@@H](NC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)C1
InChIInChI=1S/C14H23F3N4O2/c1-10-7-20(5-6-21(10)9-14(15,16)17)13(23)18-12-3-4-19(8-12)11(2)22/h10,12H,3-9H2,1-2H3,(H,18,23)/t10-,12-/m1/s1
InChIKeyFKVQGPNQNMSCNZ-ZYHUDNBSSA-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

Analyze (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-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)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97248845
3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxylic acid
CID 174236619
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
3-methyl-N-(1-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75435678
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97248751
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
N-(1-acetylpiperidin-4-yl)-4-methylpiperidine-1-carboxamide
CID 47240960
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
(5S)-5-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,4-thiazepane-4-carboxamide
CID 100702160
1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 66568110

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 97248908) is (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC(=O)N1CC[C@@H](NC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)C1.
What is the InChIKey of (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is FKVQGPNQNMSCNZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H23F3N4O2/c1-10-7-20(5-6-21(10)9-14(15,16)17)13(23)18-12-3-4-19(8-12)11(2)22/h10,12H,3-9H2,1-2H3,(H,18,23)/t10-,12-/m1/s1.
What are the key properties of (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
(3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-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 (3R)-N-[(3R)-1-acetylpyrrolidin-3-yl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97248908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).