N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide

C18H24N2O3 — CID 119273307

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3CCNCC3)oc12
InChIInChI=1S/C18H24N2O3/c1-3-22-15-6-4-5-14-11-16(23-17(14)15)12(2)20-18(21)13-7-9-19-10-8-13/h4-6,11-13,19H,3,7-10H2,1-2H3,(H,20,21)
InChIKeyOVZBJDJSBGTLQD-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.01
Rot. Bonds5

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 119273307) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID119273307
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3CCNCC3)oc12
InChIInChI=1S/C18H24N2O3/c1-3-22-15-6-4-5-14-11-16(23-17(14)15)12(2)20-18(21)13-7-9-19-10-8-13/h4-6,11-13,19H,3,7-10H2,1-2H3,(H,20,21)
InChIKeyOVZBJDJSBGTLQD-UHFFFAOYSA-N
XLogP3.01
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
N-[2-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41095730
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633786
N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
CID 86831296
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
tert-butyl 2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55396395
(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94039986
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide (CID 119273307) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide is CCOc1cccc2cc(C(C)NC(=O)C3CCNCC3)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is OVZBJDJSBGTLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-22-15-6-4-5-14-11-16(23-17(14)15)12(2)20-18(21)13-7-9-19-10-8-13/h4-6,11-13,19H,3,7-10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119273307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).