3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

C14H22N6O2 — CID 172767021

IUPAC3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESNC(=O)CCN1CCCCC1c1n[nH]c2c1CN(C(N)=O)C2
InChIInChI=1S/C14H22N6O2/c15-12(21)4-6-19-5-2-1-3-11(19)13-9-7-20(14(16)22)8-10(9)17-18-13/h11H,1-8H2,(H2,15,21)(H2,16,22)(H,17,18)
InChIKeyMLIFGOJWMZMZGL-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.21
Rot. Bonds4

About 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 172767021) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID172767021
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESNC(=O)CCN1CCCCC1c1n[nH]c2c1CN(C(N)=O)C2
InChIInChI=1S/C14H22N6O2/c15-12(21)4-6-19-5-2-1-3-11(19)13-9-7-20(14(16)22)8-10(9)17-18-13/h11H,1-8H2,(H2,15,21)(H2,16,22)(H,17,18)
InChIKeyMLIFGOJWMZMZGL-UHFFFAOYSA-N
XLogP0.21
TPSA121.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 172767021) is 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is NC(=O)CCN1CCCCC1c1n[nH]c2c1CN(C(N)=O)C2.
What is the InChIKey of 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is MLIFGOJWMZMZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c15-12(21)4-6-19-5-2-1-3-11(19)13-9-7-20(14(16)22)8-10(9)17-18-13/h11H,1-8H2,(H2,15,21)(H2,16,22)(H,17,18).
What are the key properties of 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 172767021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).