[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate

C17H17ClN2O5 — CID 9477620

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)c2cc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C17H17ClN2O5/c18-12-1-2-13-11(7-12)8-14(25-13)17(23)24-9-15(21)20-5-3-10(4-6-20)16(19)22/h1-2,7-8,10H,3-6,9H2,(H2,19,22)
InChIKeyKONIMPHRWAQJMB-UHFFFAOYSA-N
MW364.79 g/mol
LogP1.97
Rot. Bonds4

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate (PubChem CID 9477620) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
PubChem CID9477620
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)c2cc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C17H17ClN2O5/c18-12-1-2-13-11(7-12)8-14(25-13)17(23)24-9-15(21)20-5-3-10(4-6-20)16(19)22/h1-2,7-8,10H,3-6,9H2,(H2,19,22)
InChIKeyKONIMPHRWAQJMB-UHFFFAOYSA-N
XLogP1.97
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7193669
[2-(azocan-1-yl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541005
ethyl 1-[2-(5-chloro-2-hydroxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 8604247
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7867862
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861804
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
2-[(3S,4S)-1-(5-chloro-1-benzofuran-2-carbonyl)-4-(4-chlorophenoxy)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110078373
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate
CID 7891375
1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide
CID 769766
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71944079

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate (CID 9477620) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate is NC(=O)C1CCN(C(=O)COC(=O)c2cc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate?
The InChIKey is KONIMPHRWAQJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c18-12-1-2-13-11(7-12)8-14(25-13)17(23)24-9-15(21)20-5-3-10(4-6-20)16(19)22/h1-2,7-8,10H,3-6,9H2,(H2,19,22).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate has a molecular weight of 364.79 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 9477620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).