ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate

C17H26N4O4 — CID 91945943

IUPACethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCNC(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C17H26N4O4/c1-4-25-17(24)13-6-9-21(10-7-13)15(22)5-8-18-16(23)14-11-12(2)19-20(14)3/h11,13H,4-10H2,1-3H3,(H,18,23)
InChIKeyQTTOLEBKNJQPNI-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.65
Rot. Bonds6

About ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate (PubChem CID 91945943) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate
PubChem CID91945943
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nameethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCNC(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C17H26N4O4/c1-4-25-17(24)13-6-9-21(10-7-13)15(22)5-8-18-16(23)14-11-12(2)19-20(14)3/h11,13H,4-10H2,1-3H3,(H,18,23)
InChIKeyQTTOLEBKNJQPNI-UHFFFAOYSA-N
XLogP0.65
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
CID 97465255
ethyl 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butanoate
CID 61039145
ethyl 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 71688982
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 91945727
1-[3-(4-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470608
N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
CID 77112141
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 55506189
ethyl 1-[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 75371510
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate (CID 91945943) is ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCNC(=O)c2cc(C)nn2C)CC1.
What is the InChIKey of ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate?
The InChIKey is QTTOLEBKNJQPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-4-25-17(24)13-6-9-21(10-7-13)15(22)5-8-18-16(23)14-11-12(2)19-20(14)3/h11,13H,4-10H2,1-3H3,(H,18,23).
What are the key properties of ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 91945943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).