N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

C19H28N4O2 — CID 67269772

IUPACN-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCC(CCCO)NC2)c2ccccc21
InChIInChI=1S/C19H28N4O2/c1-13(2)23-17-8-4-3-7-16(17)18(22-23)19(25)21-15-10-9-14(20-12-15)6-5-11-24/h3-4,7-8,13-15,20,24H,5-6,9-12H2,1-2H3,(H,21,25)
InChIKeyOYTDUCINVYLXPK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.24
Rot. Bonds6

About N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 67269772) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID67269772
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCC(CCCO)NC2)c2ccccc21
InChIInChI=1S/C19H28N4O2/c1-13(2)23-17-8-4-3-7-16(17)18(22-23)19(25)21-15-10-9-14(20-12-15)6-5-11-24/h3-4,7-8,13-15,20,24H,5-6,9-12H2,1-2H3,(H,21,25)
InChIKeyOYTDUCINVYLXPK-UHFFFAOYSA-N
XLogP2.24
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 67269772) is N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2CCC(CCCO)NC2)c2ccccc21.
What is the InChIKey of N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is OYTDUCINVYLXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)23-17-8-4-3-7-16(17)18(22-23)19(25)21-15-10-9-14(20-12-15)6-5-11-24/h3-4,7-8,13-15,20,24H,5-6,9-12H2,1-2H3,(H,21,25).
What are the key properties of N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 67269772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).