[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate

C16H19N3O5 — CID 175133699

IUPAC[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate
SMILESCOc1ccc2oc(C(=O)NN3CCC(OC(N)=O)CC3)cc2c1
InChIInChI=1S/C16H19N3O5/c1-22-12-2-3-13-10(8-12)9-14(24-13)15(20)18-19-6-4-11(5-7-19)23-16(17)21/h2-3,8-9,11H,4-7H2,1H3,(H2,17,21)(H,18,20)
InChIKeyZOGWQFRLLSUBLL-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.65
Rot. Bonds4

About [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate

[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate (PubChem CID 175133699) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate
PubChem CID175133699
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate
SMILESCOc1ccc2oc(C(=O)NN3CCC(OC(N)=O)CC3)cc2c1
InChIInChI=1S/C16H19N3O5/c1-22-12-2-3-13-10(8-12)9-14(24-13)15(20)18-19-6-4-11(5-7-19)23-16(17)21/h2-3,8-9,11H,4-7H2,1H3,(H2,17,21)(H,18,20)
InChIKeyZOGWQFRLLSUBLL-UHFFFAOYSA-N
XLogP1.65
TPSA107.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624023
1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 46236390
5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
CID 9272241
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 58675222
[(2S)-1-(5-methoxy-1-benzofuran-2-yl)-1-oxopropan-2-yl] methanesulfonate
CID 101192784
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257503
5-methoxy-1-benzofuran-2-carboxamide;trans-ethyl (1R,2R)-2-methylcyclohexane-1-carboxylate
CID 159366219
N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194096
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate?
The IUPAC name of [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate (CID 175133699) is [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate?
The canonical SMILES for [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate is COc1ccc2oc(C(=O)NN3CCC(OC(N)=O)CC3)cc2c1.
What is the InChIKey of [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate?
The InChIKey is ZOGWQFRLLSUBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-22-12-2-3-13-10(8-12)9-14(24-13)15(20)18-19-6-4-11(5-7-19)23-16(17)21/h2-3,8-9,11H,4-7H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate?
[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate has a molecular weight of 333.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate is sourced from PubChem (CID 175133699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).