N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide

C17H22N2O2 — CID 114423092

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC(C)c2cc3ccccc3o2)C1
InChIInChI=1S/C17H22N2O2/c1-11-7-8-18-14(9-11)17(20)19-12(2)16-10-13-5-3-4-6-15(13)21-16/h3-6,10-12,14,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyCGGSSBDOWXPMBH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.00
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114423092) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide
PubChem CID114423092
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC(C)c2cc3ccccc3o2)C1
InChIInChI=1S/C17H22N2O2/c1-11-7-8-18-14(9-11)17(20)19-12(2)16-10-13-5-3-4-6-15(13)21-16/h3-6,10-12,14,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyCGGSSBDOWXPMBH-UHFFFAOYSA-N
XLogP3.00
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029
N-[1-(1-benzofuran-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119691689
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
(2R,3S)-N-[1-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919673
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423858
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 104921807
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide (CID 114423092) is N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NC(C)c2cc3ccccc3o2)C1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is CGGSSBDOWXPMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-7-8-18-14(9-11)17(20)19-12(2)16-10-13-5-3-4-6-15(13)21-16/h3-6,10-12,14,18H,7-9H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).