N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide

C19H28N4O — CID 72845404

IUPACN-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)C1CCN(C(C)C)CC1)nn2C
InChIInChI=1S/C19H28N4O/c1-13(2)23-9-7-15(8-10-23)19(24)20-12-17-16-11-14(3)5-6-18(16)22(4)21-17/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,20,24)
InChIKeyDJZXAIUVOPGUBU-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.62
Rot. Bonds4

About N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72845404) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72845404
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)C1CCN(C(C)C)CC1)nn2C
InChIInChI=1S/C19H28N4O/c1-13(2)23-9-7-15(8-10-23)19(24)20-12-17-16-11-14(3)5-6-18(16)22(4)21-17/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,20,24)
InChIKeyDJZXAIUVOPGUBU-UHFFFAOYSA-N
XLogP2.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72845404) is N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide is Cc1ccc2c(c1)c(CNC(=O)C1CCN(C(C)C)CC1)nn2C.
What is the InChIKey of N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is DJZXAIUVOPGUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13(2)23-9-7-15(8-10-23)19(24)20-12-17-16-11-14(3)5-6-18(16)22(4)21-17/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,20,24).
What are the key properties of N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72845404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).