ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate

C15H24N4O2 — CID 78318935

IUPACethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC(n3cccn3)C2)CC1
InChIInChI=1S/C15H24N4O2/c1-2-21-15(20)18-8-4-13(5-9-18)10-17-11-14(12-17)19-7-3-6-16-19/h3,6-7,13-14H,2,4-5,8-12H2,1H3
InChIKeyNOJIORAOWKLPCN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.61
Rot. Bonds4

About ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate

ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 78318935) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate
PubChem CID78318935
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC(n3cccn3)C2)CC1
InChIInChI=1S/C15H24N4O2/c1-2-21-15(20)18-8-4-13(5-9-18)10-17-11-14(12-17)19-7-3-6-16-19/h3,6-7,13-14H,2,4-5,8-12H2,1H3
InChIKeyNOJIORAOWKLPCN-UHFFFAOYSA-N
XLogP1.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate (CID 78318935) is ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CC(n3cccn3)C2)CC1.
What is the InChIKey of ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is NOJIORAOWKLPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-21-15(20)18-8-4-13(5-9-18)10-17-11-14(12-17)19-7-3-6-16-19/h3,6-7,13-14H,2,4-5,8-12H2,1H3.
What are the key properties of ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate?
ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 78318935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).