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

C19H29N5O3 — CID 146597738

IUPAC2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone
SMILESC[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCNCC3)c3c2CCC3)C[C@H](C)O1
InChIInChI=1S/C19H29N5O3/c1-13-10-23(11-14(2)27-13)19(26)18-15-4-3-5-16(15)24(21-18)12-17(25)22-8-6-20-7-9-22/h13-14,20H,3-12H2,1-2H3/t13-,14+
InChIKeyAPVGLOACTRPVPZ-OKILXGFUSA-N
MW375.47 g/mol
LogP0.05
Rot. Bonds3

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

2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 146597738) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone
PubChem CID146597738
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone
SMILESC[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCNCC3)c3c2CCC3)C[C@H](C)O1
InChIInChI=1S/C19H29N5O3/c1-13-10-23(11-14(2)27-13)19(26)18-15-4-3-5-16(15)24(21-18)12-17(25)22-8-6-20-7-9-22/h13-14,20H,3-12H2,1-2H3/t13-,14+
InChIKeyAPVGLOACTRPVPZ-OKILXGFUSA-N
XLogP0.05
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 166572829
2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperidin-1-yl]ethanone
CID 147901333
2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3,6-trifluorophenyl)piperidin-1-yl]ethanone
CID 150604169
2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone
CID 150549064
1-[4-(2-chloro-6-fluorophenoxy)piperidin-1-yl]-2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 146405106
2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166572886
2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-3-methylphenyl)piperidin-1-yl]ethanone
CID 150351355
1-[4-(3,4-difluoro-2-methylphenyl)piperazin-1-yl]-2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 166572804
1-[4-(2-chloro-3,4,5-trifluorophenyl)piperidin-1-yl]-2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 150475351
1-[4-(3,4-difluoro-2-methylphenyl)piperidin-1-yl]-2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 150988403
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
2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-methoxy-2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166572909

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone (CID 146597738) is 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone is C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCNCC3)c3c2CCC3)C[C@H](C)O1.
What is the InChIKey of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is APVGLOACTRPVPZ-OKILXGFUSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-13-10-23(11-14(2)27-13)19(26)18-15-4-3-5-16(15)24(21-18)12-17(25)22-8-6-20-7-9-22/h13-14,20H,3-12H2,1-2H3/t13-,14+.
What are the key properties of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone?
2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 375.47 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 146597738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).