2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone

C28H38N4O4 — CID 146405043

IUPAC2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)c1C
InChIInChI=1S/C28H38N4O4/c1-18-7-5-10-25(21(18)4)36-22-11-13-30(14-12-22)26(33)17-32-24-9-6-8-23(24)27(29-32)28(34)31-15-19(2)35-20(3)16-31/h5,7,10,19-20,22H,6,8-9,11-17H2,1-4H3/t19-,20+
InChIKeyPVBSGLJBJQGYNF-BGYRXZFFSA-N
MW494.64 g/mol
LogP3.31
Rot. Bonds5

About 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone

2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone (PubChem CID 146405043) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone
PubChem CID146405043
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)c1C
InChIInChI=1S/C28H38N4O4/c1-18-7-5-10-25(21(18)4)36-22-11-13-30(14-12-22)26(33)17-32-24-9-6-8-23(24)27(29-32)28(34)31-15-19(2)35-20(3)16-31/h5,7,10,19-20,22H,6,8-9,11-17H2,1-4H3/t19-,20+
InChIKeyPVBSGLJBJQGYNF-BGYRXZFFSA-N
XLogP3.31
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone (CID 146405043) is 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone is Cc1cccc(OC2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)c1C.
What is the InChIKey of 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone?
The InChIKey is PVBSGLJBJQGYNF-BGYRXZFFSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-18-7-5-10-25(21(18)4)36-22-11-13-30(14-12-22)26(33)17-32-24-9-6-8-23(24)27(29-32)28(34)31-15-19(2)35-20(3)16-31/h5,7,10,19-20,22H,6,8-9,11-17H2,1-4H3/t19-,20+.
What are the key properties of 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone?
2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone has a molecular weight of 494.64 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 146405043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).