(1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C16H26N4O2 — CID 46981611

IUPAC(1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-18-13-15(12-17-18)16(21)20-6-3-14(4-7-20)2-5-19-8-10-22-11-9-19/h12-14H,2-11H2,1H3
InChIKeyLKZDHVLHPLAXJI-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.99
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 46981611) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID46981611
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-18-13-15(12-17-18)16(21)20-6-3-14(4-7-20)2-5-19-8-10-22-11-9-19/h12-14H,2-11H2,1H3
InChIKeyLKZDHVLHPLAXJI-UHFFFAOYSA-N
XLogP0.99
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 46981611) is (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is LKZDHVLHPLAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-13-15(12-17-18)16(21)20-6-3-14(4-7-20)2-5-19-8-10-22-11-9-19/h12-14H,2-11H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46981611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).