[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C17H27ClN4O2 — CID 56753846

IUPAC[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1nn(C)c(Cl)c1CN1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H27ClN4O2/c1-3-15-14(16(18)20(2)19-15)12-21-6-4-13(5-7-21)17(23)22-8-10-24-11-9-22/h13H,3-12H2,1-2H3
InChIKeyZXIUWYKBDZSKTN-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.71
Rot. Bonds4

About [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 56753846) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID56753846
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1nn(C)c(Cl)c1CN1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H27ClN4O2/c1-3-15-14(16(18)20(2)19-15)12-21-6-4-13(5-7-21)17(23)22-8-10-24-11-9-22/h13H,3-12H2,1-2H3
InChIKeyZXIUWYKBDZSKTN-UHFFFAOYSA-N
XLogP1.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 56753846) is [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is CCc1nn(C)c(Cl)c1CN1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZXIUWYKBDZSKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-3-15-14(16(18)20(2)19-15)12-21-6-4-13(5-7-21)17(23)22-8-10-24-11-9-22/h13H,3-12H2,1-2H3.
What are the key properties of [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 354.88 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56753846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).