(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C23H33FN6O — CID 97258239

IUPAC(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C1
InChIInChI=1S/C23H33FN6O/c1-3-29-16-25-27-22(29)17-8-7-13-30(15-17)23(31)26-18-11-12-21(20(24)14-18)28(2)19-9-5-4-6-10-19/h11-12,14,16-17,19H,3-10,13,15H2,1-2H3,(H,26,31)/t17-/m1/s1
InChIKeyJIFMCSUSLYNREX-QGZVFWFLSA-N
MW428.56 g/mol
LogP4.62
Rot. Bonds5

About (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 97258239) has the molecular formula C23H33FN6O and a molecular weight of 428.56 g/mol. Its IUPAC name is (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID97258239
Molecular FormulaC23H33FN6O
Molecular Weight428.56 g/mol
Exact Mass428.27
IUPAC Name(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C1
InChIInChI=1S/C23H33FN6O/c1-3-29-16-25-27-22(29)17-8-7-13-30(15-17)23(31)26-18-11-12-21(20(24)14-18)28(2)19-9-5-4-6-10-19/h11-12,14,16-17,19H,3-10,13,15H2,1-2H3,(H,26,31)/t17-/m1/s1
InChIKeyJIFMCSUSLYNREX-QGZVFWFLSA-N
XLogP4.62
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-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-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-[(R)-methylsulfinyl]phenyl]piperidine-1-carboxamide
CID 97334567
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 75369272
1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide
CID 86819884
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 97257410
N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75476594
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55802360
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(3-ethyl-4-hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 146086780
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75443272
2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 126781661
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55802204

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 97258239) is (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C1.
What is the InChIKey of (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is JIFMCSUSLYNREX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H33FN6O/c1-3-29-16-25-27-22(29)17-8-7-13-30(15-17)23(31)26-18-11-12-21(20(24)14-18)28(2)19-9-5-4-6-10-19/h11-12,14,16-17,19H,3-10,13,15H2,1-2H3,(H,26,31)/t17-/m1/s1.
What are the key properties of (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97258239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).