tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate

C19H28N4O2 — CID 69184354

IUPACtert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate
SMILESCN(C)c1cc2[nH]cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2cn1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)25-18(24)23-8-6-13(7-9-23)14-11-20-16-10-17(22(4)5)21-12-15(14)16/h10-13,20H,6-9H2,1-5H3
InChIKeyVIJVZDFDGKKUBV-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.74
Rot. Bonds2

About tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 69184354) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate
PubChem CID69184354
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nametert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate
SMILESCN(C)c1cc2[nH]cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2cn1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)25-18(24)23-8-6-13(7-9-23)14-11-20-16-10-17(22(4)5)21-12-15(14)16/h10-13,20H,6-9H2,1-5H3
InChIKeyVIJVZDFDGKKUBV-UHFFFAOYSA-N
XLogP3.74
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate (CID 69184354) is tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate is CN(C)c1cc2[nH]cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2cn1.
What is the InChIKey of tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate?
The InChIKey is VIJVZDFDGKKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,3)25-18(24)23-8-6-13(7-9-23)14-11-20-16-10-17(22(4)5)21-12-15(14)16/h10-13,20H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 69184354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).