3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide

C15H23N5O2 — CID 172702737

IUPAC3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide
SMILESCC(=O)N1Cc2[nH]nc(C3CCCCN3CCC(N)=O)c2C1
InChIInChI=1S/C15H23N5O2/c1-10(21)20-8-11-12(9-20)17-18-15(11)13-4-2-3-6-19(13)7-5-14(16)22/h13H,2-9H2,1H3,(H2,16,22)(H,17,18)
InChIKeyDEHKPHJBJJSMOD-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.67
Rot. Bonds4

About 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide

3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 172702737) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide
PubChem CID172702737
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide
SMILESCC(=O)N1Cc2[nH]nc(C3CCCCN3CCC(N)=O)c2C1
InChIInChI=1S/C15H23N5O2/c1-10(21)20-8-11-12(9-20)17-18-15(11)13-4-2-3-6-19(13)7-5-14(16)22/h13H,2-9H2,1H3,(H2,16,22)(H,17,18)
InChIKeyDEHKPHJBJJSMOD-UHFFFAOYSA-N
XLogP0.67
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide (CID 172702737) is 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide is CC(=O)N1Cc2[nH]nc(C3CCCCN3CCC(N)=O)c2C1.
What is the InChIKey of 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is DEHKPHJBJJSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10(21)20-8-11-12(9-20)17-18-15(11)13-4-2-3-6-19(13)7-5-14(16)22/h13H,2-9H2,1H3,(H2,16,22)(H,17,18).
What are the key properties of 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide?
3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 172702737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).