3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one

C17H28N4O3 — CID 56866500

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1C
InChIInChI=1S/C17H28N4O3/c1-12-13(2)18-19-14(12)3-4-17(23)21-6-5-15(16(22)11-21)20-7-9-24-10-8-20/h15-16,22H,3-11H2,1-2H3,(H,18,19)/t15-,16-/m1/s1
InChIKeyRXCKSGQFQVWODR-HZPDHXFCSA-N
MW336.44 g/mol
LogP0.25
Rot. Bonds4

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one (PubChem CID 56866500) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one
PubChem CID56866500
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1C
InChIInChI=1S/C17H28N4O3/c1-12-13(2)18-19-14(12)3-4-17(23)21-6-5-15(16(22)11-21)20-7-9-24-10-8-20/h15-16,22H,3-11H2,1-2H3,(H,18,19)/t15-,16-/m1/s1
InChIKeyRXCKSGQFQVWODR-HZPDHXFCSA-N
XLogP0.25
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one (CID 56866500) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one is Cc1[nH]nc(CCC(=O)N2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one?
The InChIKey is RXCKSGQFQVWODR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12-13(2)18-19-14(12)3-4-17(23)21-6-5-15(16(22)11-21)20-7-9-24-10-8-20/h15-16,22H,3-11H2,1-2H3,(H,18,19)/t15-,16-/m1/s1.
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one has a molecular weight of 336.44 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 56866500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).