N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide

C20H21N5O2 — CID 51129949

IUPACN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C20H21N5O2/c21-19(26)13-9-11-25(12-10-13)15-7-5-14(6-8-15)22-20(27)18-16-3-1-2-4-17(16)23-24-18/h1-8,13H,9-12H2,(H2,21,26)(H,22,27)(H,23,24)
InChIKeyGCOJIASAQYTYAX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.52
Rot. Bonds4

About N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide

N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 51129949) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
PubChem CID51129949
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C20H21N5O2/c21-19(26)13-9-11-25(12-10-13)15-7-5-14(6-8-15)22-20(27)18-16-3-1-2-4-17(16)23-24-18/h1-8,13H,9-12H2,(H2,21,26)(H,22,27)(H,23,24)
InChIKeyGCOJIASAQYTYAX-UHFFFAOYSA-N
XLogP2.52
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide (CID 51129949) is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide is NC(=O)C1CCN(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is GCOJIASAQYTYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-19(26)13-9-11-25(12-10-13)15-7-5-14(6-8-15)22-20(27)18-16-3-1-2-4-17(16)23-24-18/h1-8,13H,9-12H2,(H2,21,26)(H,22,27)(H,23,24).
What are the key properties of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide?
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 51129949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).