1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate

C14H22N4O2 — CID 167405018

IUPAC1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate
SMILESO=C(Oc1ccn[nH]1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H22N4O2/c19-14(20-13-4-7-15-16-13)18-10-5-12(6-11-18)17-8-2-1-3-9-17/h4,7,12H,1-3,5-6,8-11H2,(H,15,16)
InChIKeyPTYNNXFQZIIOBG-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.86
Rot. Bonds2

About 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate

1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 167405018) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate
PubChem CID167405018
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate
SMILESO=C(Oc1ccn[nH]1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H22N4O2/c19-14(20-13-4-7-15-16-13)18-10-5-12(6-11-18)17-8-2-1-3-9-17/h4,7,12H,1-3,5-6,8-11H2,(H,15,16)
InChIKeyPTYNNXFQZIIOBG-UHFFFAOYSA-N
XLogP1.86
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate?
The IUPAC name of 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate (CID 167405018) is 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate is O=C(Oc1ccn[nH]1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate?
The InChIKey is PTYNNXFQZIIOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(20-13-4-7-15-16-13)18-10-5-12(6-11-18)17-8-2-1-3-9-17/h4,7,12H,1-3,5-6,8-11H2,(H,15,16).
What are the key properties of 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate?
1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl 4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 167405018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).