ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate

C15H20N4O2 — CID 31196320

IUPACethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-21-15(20)19-7-5-12(6-8-19)17-13-4-3-11-10-16-18-14(11)9-13/h3-4,9-10,12,17H,2,5-8H2,1H3,(H,16,18)
InChIKeyRODBINLHKIWPAH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.60
Rot. Bonds3

About ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate

ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate (PubChem CID 31196320) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate
PubChem CID31196320
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-21-15(20)19-7-5-12(6-8-19)17-13-4-3-11-10-16-18-14(11)9-13/h3-4,9-10,12,17H,2,5-8H2,1H3,(H,16,18)
InChIKeyRODBINLHKIWPAH-UHFFFAOYSA-N
XLogP2.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate (CID 31196320) is ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate?
The InChIKey is RODBINLHKIWPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-21-15(20)19-7-5-12(6-8-19)17-13-4-3-11-10-16-18-14(11)9-13/h3-4,9-10,12,17H,2,5-8H2,1H3,(H,16,18).
What are the key properties of ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate?
ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-indazol-6-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 31196320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).