ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate

C26H35N5O3 — CID 53026986

IUPACethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)CC1
InChIInChI=1S/C26H35N5O3/c1-4-34-26(33)30-13-9-23(10-14-30)28-25(32)18-29-11-7-21(8-12-29)22-16-27-31(17-22)24-6-5-19(2)20(3)15-24/h5-7,15-17,23H,4,8-14,18H2,1-3H3,(H,28,32)
InChIKeySDCUMIADOYZYAC-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.32
Rot. Bonds6

About ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 53026986) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID53026986
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Nameethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)CC1
InChIInChI=1S/C26H35N5O3/c1-4-34-26(33)30-13-9-23(10-14-30)28-25(32)18-29-11-7-21(8-12-29)22-16-27-31(17-22)24-6-5-19(2)20(3)15-24/h5-7,15-17,23H,4,8-14,18H2,1-3H3,(H,28,32)
InChIKeySDCUMIADOYZYAC-UHFFFAOYSA-N
XLogP3.32
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 46320901
N-(2-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027049
N-(3-methylbutyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 20932230
2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 95067165
ethyl 4-[[2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 71802597
ethyl 4-[[3-oxo-3-(2,4,6-trimethylanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950241
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
ethyl 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbonyl]amino]piperidine-1-carboxylate
CID 7708936
ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110413273
ethyl 4-[[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 87015684
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194066

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate (CID 53026986) is ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)CC1.
What is the InChIKey of ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is SDCUMIADOYZYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-4-34-26(33)30-13-9-23(10-14-30)28-25(32)18-29-11-7-21(8-12-29)22-16-27-31(17-22)24-6-5-19(2)20(3)15-24/h5-7,15-17,23H,4,8-14,18H2,1-3H3,(H,28,32).
What are the key properties of ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 465.60 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 53026986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).