N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide

C23H27N3O2 — CID 110302591

IUPACN-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide
SMILESCC1CCN(C(CNC(=O)c2cccc(-n3cccc3)c2)c2ccco2)CC1
InChIInChI=1S/C23H27N3O2/c1-18-9-13-26(14-10-18)21(22-8-5-15-28-22)17-24-23(27)19-6-4-7-20(16-19)25-11-2-3-12-25/h2-8,11-12,15-16,18,21H,9-10,13-14,17H2,1H3,(H,24,27)
InChIKeyOFWULKBYZCNSTE-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide

N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide (PubChem CID 110302591) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide
PubChem CID110302591
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide
SMILESCC1CCN(C(CNC(=O)c2cccc(-n3cccc3)c2)c2ccco2)CC1
InChIInChI=1S/C23H27N3O2/c1-18-9-13-26(14-10-18)21(22-8-5-15-28-22)17-24-23(27)19-6-4-7-20(16-19)25-11-2-3-12-25/h2-8,11-12,15-16,18,21H,9-10,13-14,17H2,1H3,(H,24,27)
InChIKeyOFWULKBYZCNSTE-UHFFFAOYSA-N
XLogP4.27
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride
CID 52985470
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methylbenzamide;hydrochloride
CID 52984760
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959829
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 26834379
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 55648424
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35691476

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide (CID 110302591) is N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide is CC1CCN(C(CNC(=O)c2cccc(-n3cccc3)c2)c2ccco2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is OFWULKBYZCNSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18-9-13-26(14-10-18)21(22-8-5-15-28-22)17-24-23(27)19-6-4-7-20(16-19)25-11-2-3-12-25/h2-8,11-12,15-16,18,21H,9-10,13-14,17H2,1H3,(H,24,27).
What are the key properties of N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide?
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110302591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).