[(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C19H32N4O2 — CID 97332169

IUPAC[(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCCn1nc(C)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1C
InChIInChI=1S/C19H32N4O2/c1-4-7-23-16(3)18(15(2)20-23)14-21-8-5-6-17(13-21)19(24)22-9-11-25-12-10-22/h17H,4-14H2,1-3H3/t17-/m0/s1
InChIKeyUQUMAEOKAIGTRM-KRWDZBQOSA-N
MW348.49 g/mol
LogP1.98
Rot. Bonds5

About [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 97332169) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID97332169
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name[(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCCn1nc(C)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1C
InChIInChI=1S/C19H32N4O2/c1-4-7-23-16(3)18(15(2)20-23)14-21-8-5-6-17(13-21)19(24)22-9-11-25-12-10-22/h17H,4-14H2,1-3H3/t17-/m0/s1
InChIKeyUQUMAEOKAIGTRM-KRWDZBQOSA-N
XLogP1.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 97332169) is [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is CCCn1nc(C)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1C.
What is the InChIKey of [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is UQUMAEOKAIGTRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-7-23-16(3)18(15(2)20-23)14-21-8-5-6-17(13-21)19(24)22-9-11-25-12-10-22/h17H,4-14H2,1-3H3/t17-/m0/s1.
What are the key properties of [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 348.49 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97332169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).