ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate

C19H30N4O3 — CID 46261615

IUPACethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCCCCC3)CC1
InChIInChI=1S/C19H30N4O3/c1-2-26-19(25)22-11-9-16(10-12-22)20-18(24)14-23-13-15-7-5-3-4-6-8-17(15)21-23/h13,16H,2-12,14H2,1H3,(H,20,24)
InChIKeyHUEHRAHNPVABJQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.28
Rot. Bonds4

About ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 46261615) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID46261615
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nameethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCCCCC3)CC1
InChIInChI=1S/C19H30N4O3/c1-2-26-19(25)22-11-9-16(10-12-22)20-18(24)14-23-13-15-7-5-3-4-6-8-17(15)21-23/h13,16H,2-12,14H2,1H3,(H,20,24)
InChIKeyHUEHRAHNPVABJQ-UHFFFAOYSA-N
XLogP2.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate (CID 46261615) is ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCCCCC3)CC1.
What is the InChIKey of ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is HUEHRAHNPVABJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-26-19(25)22-11-9-16(10-12-22)20-18(24)14-23-13-15-7-5-3-4-6-8-17(15)21-23/h13,16H,2-12,14H2,1H3,(H,20,24).
What are the key properties of ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 46261615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).