[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone

C20H32N4O2 — CID 136555336

IUPAC[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)nn1C(C)C1CC1
InChIInChI=1S/C20H32N4O2/c1-15-14-18(21-24(15)16(2)17-4-5-17)19(25)22-8-6-20(3,7-9-22)23-10-12-26-13-11-23/h14,16-17H,4-13H2,1-3H3
InChIKeyVNINXLAUOLDPQI-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.49
Rot. Bonds4

About [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone

[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 136555336) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID136555336
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)nn1C(C)C1CC1
InChIInChI=1S/C20H32N4O2/c1-15-14-18(21-24(15)16(2)17-4-5-17)19(25)22-8-6-20(3,7-9-22)23-10-12-26-13-11-23/h14,16-17H,4-13H2,1-3H3
InChIKeyVNINXLAUOLDPQI-UHFFFAOYSA-N
XLogP2.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone (CID 136555336) is [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)nn1C(C)C1CC1.
What is the InChIKey of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is VNINXLAUOLDPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-14-18(21-24(15)16(2)17-4-5-17)19(25)22-8-6-20(3,7-9-22)23-10-12-26-13-11-23/h14,16-17H,4-13H2,1-3H3.
What are the key properties of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone?
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 360.50 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 136555336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).