morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride

C13H21ClN4O2 — CID 120917128

IUPACmorpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCOCC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C13H20N4O2.ClH/c18-12(16-8-10-19-11-9-16)13(2-5-14-6-3-13)17-7-1-4-15-17;/h1,4,7,14H,2-3,5-6,8-11H2;1H
InChIKeyAEKQVAIKFMTZDM-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.24
Rot. Bonds2

About morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride

morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride (PubChem CID 120917128) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Namemorpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
PubChem CID120917128
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Namemorpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCOCC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C13H20N4O2.ClH/c18-12(16-8-10-19-11-9-16)13(2-5-14-6-3-13)17-7-1-4-15-17;/h1,4,7,14H,2-3,5-6,8-11H2;1H
InChIKeyAEKQVAIKFMTZDM-UHFFFAOYSA-N
XLogP0.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride (CID 120917128) is morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride is Cl.O=C(N1CCOCC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The InChIKey is AEKQVAIKFMTZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c18-12(16-8-10-19-11-9-16)13(2-5-14-6-3-13)17-7-1-4-15-17;/h1,4,7,14H,2-3,5-6,8-11H2;1H.
What are the key properties of morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120917128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).