(5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone

C14H22N4O2 — CID 45175092

IUPAC(5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C14H22N4O2/c1-11-13(9-15-16-11)14(19)18-4-2-3-12(10-18)17-5-7-20-8-6-17/h9,12H,2-8,10H2,1H3,(H,15,16)
InChIKeyXBXDHWCGJBWEQE-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.65
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone

(5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 45175092) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID45175092
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C14H22N4O2/c1-11-13(9-15-16-11)14(19)18-4-2-3-12(10-18)17-5-7-20-8-6-17/h9,12H,2-8,10H2,1H3,(H,15,16)
InChIKeyXBXDHWCGJBWEQE-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone (CID 45175092) is (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone is Cc1[nH]ncc1C(=O)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is XBXDHWCGJBWEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-13(9-15-16-11)14(19)18-4-2-3-12(10-18)17-5-7-20-8-6-17/h9,12H,2-8,10H2,1H3,(H,15,16).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone?
(5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-(3-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45175092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).