(1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone

C17H28N4O4S — CID 75473948

IUPAC(1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCCC(S(=O)(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C17H28N4O4S/c1-17(2,3)21-12-14(11-18-21)16(22)19-6-4-5-15(13-19)26(23,24)20-7-9-25-10-8-20/h11-12,15H,4-10,13H2,1-3H3
InChIKeyAMWWDQCDIDEQBG-UHFFFAOYSA-N
MW384.50 g/mol
LogP0.90
Rot. Bonds3

About (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone

(1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone (PubChem CID 75473948) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
PubChem CID75473948
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name(1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCCC(S(=O)(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C17H28N4O4S/c1-17(2,3)21-12-14(11-18-21)16(22)19-6-4-5-15(13-19)26(23,24)20-7-9-25-10-8-20/h11-12,15H,4-10,13H2,1-3H3
InChIKeyAMWWDQCDIDEQBG-UHFFFAOYSA-N
XLogP0.90
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone (CID 75473948) is (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone is CC(C)(C)n1cc(C(=O)N2CCCC(S(=O)(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The InChIKey is AMWWDQCDIDEQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-17(2,3)21-12-14(11-18-21)16(22)19-6-4-5-15(13-19)26(23,24)20-7-9-25-10-8-20/h11-12,15H,4-10,13H2,1-3H3.
What are the key properties of (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
(1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone has a molecular weight of 384.50 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 75473948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).