ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride

C18H20ClN3O3 — CID 2952391

IUPACethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1.Cl
InChIInChI=1S/C18H19N3O3.ClH/c1-2-23-18(22)12-7-9-21(10-8-12)17-16-15(19-11-20-17)13-5-3-4-6-14(13)24-16;/h3-6,11-12H,2,7-10H2,1H3;1H
InChIKeyKAPIZWUOUHBZHK-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.58
Rot. Bonds3

About ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride

ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride (PubChem CID 2952391) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
PubChem CID2952391
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Nameethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1.Cl
InChIInChI=1S/C18H19N3O3.ClH/c1-2-23-18(22)12-7-9-21(10-8-12)17-16-15(19-11-20-17)13-5-3-4-6-14(13)24-16;/h3-6,11-12H,2,7-10H2,1H3;1H
InChIKeyKAPIZWUOUHBZHK-UHFFFAOYSA-N
XLogP3.58
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 664715
2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
CID 126826467
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 133285409
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46393051
1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 46393062
[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 50835137
ethyl (2R)-1-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]piperidine-2-carboxylate
CID 8665130
1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid;hydrochloride
CID 52994844
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042276
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523
4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 660262
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199

Frequently Asked Questions

What is the IUPAC name of ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride (CID 2952391) is ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1.Cl.
What is the InChIKey of ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is KAPIZWUOUHBZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3.ClH/c1-2-23-18(22)12-7-9-21(10-8-12)17-16-15(19-11-20-17)13-5-3-4-6-14(13)24-16;/h3-6,11-12H,2,7-10H2,1H3;1H.
What are the key properties of ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride?
ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 2952391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).