1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide

C20H27N5O — CID 173251238

IUPAC1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(C2CCNCC2)c2ccc(/C=C/C3CCNCC3)cc12
InChIInChI=1S/C20H27N5O/c21-20(26)19-17-13-15(2-1-14-5-9-22-10-6-14)3-4-18(17)25(24-19)16-7-11-23-12-8-16/h1-4,13-14,16,22-23H,5-12H2,(H2,21,26)/b2-1+
InChIKeyCPWZILAHMRZNTE-OWOJBTEDSA-N
MW353.47 g/mol
LogP2.07
Rot. Bonds4

About 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide

1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide (PubChem CID 173251238) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide
PubChem CID173251238
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(C2CCNCC2)c2ccc(/C=C/C3CCNCC3)cc12
InChIInChI=1S/C20H27N5O/c21-20(26)19-17-13-15(2-1-14-5-9-22-10-6-14)3-4-18(17)25(24-19)16-7-11-23-12-8-16/h1-4,13-14,16,22-23H,5-12H2,(H2,21,26)/b2-1+
InChIKeyCPWZILAHMRZNTE-OWOJBTEDSA-N
XLogP2.07
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide?
The IUPAC name of 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide (CID 173251238) is 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide is NC(=O)c1nn(C2CCNCC2)c2ccc(/C=C/C3CCNCC3)cc12.
What is the InChIKey of 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide?
The InChIKey is CPWZILAHMRZNTE-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H27N5O/c21-20(26)19-17-13-15(2-1-14-5-9-22-10-6-14)3-4-18(17)25(24-19)16-7-11-23-12-8-16/h1-4,13-14,16,22-23H,5-12H2,(H2,21,26)/b2-1+.
What are the key properties of 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide?
1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-5-[(E)-2-piperidin-4-ylethenyl]indazole-3-carboxamide is sourced from PubChem (CID 173251238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).