N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C27H39N5O3 — CID 146909195

IUPACN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N2CCCCC2CCO)C2CCCCC2)cc1
InChIInChI=1S/C27H39N5O3/c1-18-24(19(2)31-30-18)20-11-13-22(14-12-20)28-26(34)25(21-8-4-3-5-9-21)29-27(35)32-16-7-6-10-23(32)15-17-33/h11-14,21,23,25,33H,3-10,15-17H2,1-2H3,(H,28,34)(H,29,35)(H,30,31)/t23?,25-/m0/s1
InChIKeyAAYYEQBNIMPUDZ-YNMFNDETSA-N
MW481.64 g/mol
LogP4.53
Rot. Bonds7

About N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 146909195) has the molecular formula C27H39N5O3 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID146909195
Molecular FormulaC27H39N5O3
Molecular Weight481.64 g/mol
Exact Mass481.31
IUPAC NameN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N2CCCCC2CCO)C2CCCCC2)cc1
InChIInChI=1S/C27H39N5O3/c1-18-24(19(2)31-30-18)20-11-13-22(14-12-20)28-26(34)25(21-8-4-3-5-9-21)29-27(35)32-16-7-6-10-23(32)15-17-33/h11-14,21,23,25,33H,3-10,15-17H2,1-2H3,(H,28,34)(H,29,35)(H,30,31)/t23?,25-/m0/s1
InChIKeyAAYYEQBNIMPUDZ-YNMFNDETSA-N
XLogP4.53
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)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

N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 156904253
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-cyclopropylpyrazole-3-carboxamide
CID 156779285
2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide
CID 154944163
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 156779480
2-but-3-en-2-yl-N-[1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazole-3-carboxamide
CID 176668391
N-[(2S)-3-cyclobutyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxobutan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779265
N-[(2S)-3-cyclohexyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopentan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779274
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-N-(2-hydroxypropan-2-yl)-2-oxopyrrolidine-1-carboxamide
CID 156904251
N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 167148821
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 175152370

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 146909195) is N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N2CCCCC2CCO)C2CCCCC2)cc1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is AAYYEQBNIMPUDZ-YNMFNDETSA-N. The full InChI is InChI=1S/C27H39N5O3/c1-18-24(19(2)31-30-18)20-11-13-22(14-12-20)28-26(34)25(21-8-4-3-5-9-21)29-27(35)32-16-7-6-10-23(32)15-17-33/h11-14,21,23,25,33H,3-10,15-17H2,1-2H3,(H,28,34)(H,29,35)(H,30,31)/t23?,25-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 4.53, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 146909195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).