3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid

C20H27N3O5 — CID 134810558

IUPAC3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid
SMILESCC(C)OC(=O)N1CCC(COc2ccc3c(cnn3CCC(=O)O)c2)CC1
InChIInChI=1S/C20H27N3O5/c1-14(2)28-20(26)22-8-5-15(6-9-22)13-27-17-3-4-18-16(11-17)12-21-23(18)10-7-19(24)25/h3-4,11-12,14-15H,5-10,13H2,1-2H3,(H,24,25)
InChIKeyYKRBDWPDAJXQFQ-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.15
Rot. Bonds7

About 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid

3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid (PubChem CID 134810558) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid
PubChem CID134810558
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid
SMILESCC(C)OC(=O)N1CCC(COc2ccc3c(cnn3CCC(=O)O)c2)CC1
InChIInChI=1S/C20H27N3O5/c1-14(2)28-20(26)22-8-5-15(6-9-22)13-27-17-3-4-18-16(11-17)12-21-23(18)10-7-19(24)25/h3-4,11-12,14-15H,5-10,13H2,1-2H3,(H,24,25)
InChIKeyYKRBDWPDAJXQFQ-UHFFFAOYSA-N
XLogP3.15
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid (CID 134810558) is 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid is CC(C)OC(=O)N1CCC(COc2ccc3c(cnn3CCC(=O)O)c2)CC1.
What is the InChIKey of 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid?
The InChIKey is YKRBDWPDAJXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-14(2)28-20(26)22-8-5-15(6-9-22)13-27-17-3-4-18-16(11-17)12-21-23(18)10-7-19(24)25/h3-4,11-12,14-15H,5-10,13H2,1-2H3,(H,24,25).
What are the key properties of 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid?
3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid has a molecular weight of 389.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134810558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).