[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C18H29N3O2 — CID 155912826

IUPAC[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C(C)C)O1
InChIInChI=1S/C18H29N3O2/c1-4-5-7-13-10-21(11-16(23-13)12(2)3)18(22)17-14-8-6-9-15(14)19-20-17/h12-13,16H,4-11H2,1-3H3,(H,19,20)/t13-,16-/m1/s1
InChIKeyOHZKMYRNWUWRJZ-CZUORRHYSA-N
MW319.45 g/mol
LogP2.95
Rot. Bonds5

About [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 155912826) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID155912826
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C(C)C)O1
InChIInChI=1S/C18H29N3O2/c1-4-5-7-13-10-21(11-16(23-13)12(2)3)18(22)17-14-8-6-9-15(14)19-20-17/h12-13,16H,4-11H2,1-3H3,(H,19,20)/t13-,16-/m1/s1
InChIKeyOHZKMYRNWUWRJZ-CZUORRHYSA-N
XLogP2.95
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 155912826) is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CCCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C(C)C)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is OHZKMYRNWUWRJZ-CZUORRHYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-5-7-13-10-21(11-16(23-13)12(2)3)18(22)17-14-8-6-9-15(14)19-20-17/h12-13,16H,4-11H2,1-3H3,(H,19,20)/t13-,16-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 319.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 155912826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).