ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride

C17H29ClN4O4 — CID 120639200

IUPACethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)C2(COC)CCNCC2)cn1.Cl
InChIInChI=1S/C17H28N4O4.ClH/c1-5-25-15(23)16(2,3)21-11-13(10-19-21)20-14(22)17(12-24-4)6-8-18-9-7-17;/h10-11,18H,5-9,12H2,1-4H3,(H,20,22);1H
InChIKeyZSDKVVLBCNRNLJ-UHFFFAOYSA-N
MW388.90 g/mol
LogP1.56
Rot. Bonds7

About ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride

ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride (PubChem CID 120639200) has the molecular formula C17H29ClN4O4 and a molecular weight of 388.90 g/mol. Its IUPAC name is ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
PubChem CID120639200
Molecular FormulaC17H29ClN4O4
Molecular Weight388.90 g/mol
Exact Mass388.19
IUPAC Nameethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)C2(COC)CCNCC2)cn1.Cl
InChIInChI=1S/C17H28N4O4.ClH/c1-5-25-15(23)16(2,3)21-11-13(10-19-21)20-14(22)17(12-24-4)6-8-18-9-7-17;/h10-11,18H,5-9,12H2,1-4H3,(H,20,22);1H
InChIKeyZSDKVVLBCNRNLJ-UHFFFAOYSA-N
XLogP1.56
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 119345896
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634436
ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 119822675
ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate
CID 119345899
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
4-(methoxymethyl)-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 120618740
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride (CID 120639200) is ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)(C)n1cc(NC(=O)C2(COC)CCNCC2)cn1.Cl.
What is the InChIKey of ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The InChIKey is ZSDKVVLBCNRNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4.ClH/c1-5-25-15(23)16(2,3)21-11-13(10-19-21)20-14(22)17(12-24-4)6-8-18-9-7-17;/h10-11,18H,5-9,12H2,1-4H3,(H,20,22);1H.
What are the key properties of ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 120639200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).