methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate

C14H16N4O3 — CID 141040782

IUPACmethyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CNCC(=O)N1Cc1cc2cnccc2[nH]1
InChIInChI=1S/C14H16N4O3/c1-21-14(20)12-6-16-7-13(19)18(12)8-10-4-9-5-15-3-2-11(9)17-10/h2-5,12,16-17H,6-8H2,1H3
InChIKeyCHEOHVIWDYNAJY-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.04
Rot. Bonds3

About methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate

methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate (PubChem CID 141040782) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate
PubChem CID141040782
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CNCC(=O)N1Cc1cc2cnccc2[nH]1
InChIInChI=1S/C14H16N4O3/c1-21-14(20)12-6-16-7-13(19)18(12)8-10-4-9-5-15-3-2-11(9)17-10/h2-5,12,16-17H,6-8H2,1H3
InChIKeyCHEOHVIWDYNAJY-UHFFFAOYSA-N
XLogP0.04
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-oxo-4-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate
CID 154390949
2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
CID 91108546
4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 54223312
(3S)-4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carbaldehyde
CID 174452098
4-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-6-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 67014186
4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-6-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 142657321
1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 154868871
4-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-3-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 67109501
methyl 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(5-chloro-1H-indol-2-yl)methyl]-6-oxopiperazine-2-carboxylate
CID 67108957
1-[(2R)-2-amino-4-phenylbutanoyl]-4-(methoxymethyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 162449960
(8S)-3-(benzylamino)-1-chloro-8-ethyl-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 177114766
methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694187

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate?
The IUPAC name of methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate (CID 141040782) is methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate is COC(=O)C1CNCC(=O)N1Cc1cc2cnccc2[nH]1.
What is the InChIKey of methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate?
The InChIKey is CHEOHVIWDYNAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-21-14(20)12-6-16-7-13(19)18(12)8-10-4-9-5-15-3-2-11(9)17-10/h2-5,12,16-17H,6-8H2,1H3.
What are the key properties of methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate?
methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate is sourced from PubChem (CID 141040782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).