N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide

C12H20N4O — CID 91457564

IUPACN-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)C1NNC2CC=CC21
InChIInChI=1S/C12H20N4O/c17-12(15-16-7-2-1-3-8-16)11-9-5-4-6-10(9)13-14-11/h4-5,9-11,13-14H,1-3,6-8H2,(H,15,17)
InChIKeyJVXSJTUIMNYPCT-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.08
Rot. Bonds2

About N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide

N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide (PubChem CID 91457564) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide
PubChem CID91457564
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)C1NNC2CC=CC21
InChIInChI=1S/C12H20N4O/c17-12(15-16-7-2-1-3-8-16)11-9-5-4-6-10(9)13-14-11/h4-5,9-11,13-14H,1-3,6-8H2,(H,15,17)
InChIKeyJVXSJTUIMNYPCT-UHFFFAOYSA-N
XLogP-0.08
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide?
The IUPAC name of N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide (CID 91457564) is N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide is O=C(NN1CCCCC1)C1NNC2CC=CC21.
What is the InChIKey of N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide?
The InChIKey is JVXSJTUIMNYPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(15-16-7-2-1-3-8-16)11-9-5-4-6-10(9)13-14-11/h4-5,9-11,13-14H,1-3,6-8H2,(H,15,17).
What are the key properties of N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide?
N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 91457564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).