(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

C19H23F6N3O — CID 97244489

IUPAC(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCN1CCC([C@@H]2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C19H23F6N3O/c1-27-5-2-12(3-6-27)13-4-7-28(11-13)17(29)26-16-9-14(18(20,21)22)8-15(10-16)19(23,24)25/h8-10,12-13H,2-7,11H2,1H3,(H,26,29)/t13-/m1/s1
InChIKeyGBXNLQKIYIMJRX-CYBMUJFWSA-N
MW423.40 g/mol
LogP4.92
Rot. Bonds2

About (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 97244489) has the molecular formula C19H23F6N3O and a molecular weight of 423.40 g/mol. Its IUPAC name is (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID97244489
Molecular FormulaC19H23F6N3O
Molecular Weight423.40 g/mol
Exact Mass423.17
IUPAC Name(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCN1CCC([C@@H]2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C19H23F6N3O/c1-27-5-2-12(3-6-27)13-4-7-28(11-13)17(29)26-16-9-14(18(20,21)22)8-15(10-16)19(23,24)25/h8-10,12-13H,2-7,11H2,1H3,(H,26,29)/t13-/m1/s1
InChIKeyGBXNLQKIYIMJRX-CYBMUJFWSA-N
XLogP4.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-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

1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073677
N-[3,5-bis(trifluoromethyl)phenyl]-4-[1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidin-4-yl]piperidine-1-carboxamide
CID 74225119
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
CID 3772310
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate
CID 3792100
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
3-(pyrrolidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 61235682
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90511911
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopentylmethyl)-4-hydroxypiperidine-1-carboxamide
CID 23071993
2-[4-[1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]azetidin-3-yl]piperazin-1-yl]acetic acid
CID 23140177
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 97244489) is (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is CN1CCC([C@@H]2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is GBXNLQKIYIMJRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23F6N3O/c1-27-5-2-12(3-6-27)13-4-7-28(11-13)17(29)26-16-9-14(18(20,21)22)8-15(10-16)19(23,24)25/h8-10,12-13H,2-7,11H2,1H3,(H,26,29)/t13-/m1/s1.
What are the key properties of (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97244489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).