2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide

C18H24N2O2 — CID 119557256

IUPAC2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
SMILESCC(C(=O)NCCC1CCCNC1)c1cc2ccccc2o1
InChIInChI=1S/C18H24N2O2/c1-13(17-11-15-6-2-3-7-16(15)22-17)18(21)20-10-8-14-5-4-9-19-12-14/h2-3,6-7,11,13-14,19H,4-5,8-10,12H2,1H3,(H,20,21)
InChIKeyMRVPWRKGJFFAEX-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.04
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide

2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide (PubChem CID 119557256) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
PubChem CID119557256
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
SMILESCC(C(=O)NCCC1CCCNC1)c1cc2ccccc2o1
InChIInChI=1S/C18H24N2O2/c1-13(17-11-15-6-2-3-7-16(15)22-17)18(21)20-10-8-14-5-4-9-19-12-14/h2-3,6-7,11,13-14,19H,4-5,8-10,12H2,1H3,(H,20,21)
InChIKeyMRVPWRKGJFFAEX-UHFFFAOYSA-N
XLogP3.04
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537609
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555725
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558247
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylpropanamide
CID 119555906
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561
N-(2-piperidin-3-ylethyl)-1H-indole-2-carboxamide
CID 63628878
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
2-(1-benzofuran-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890363
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
CID 119536846
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 119557967

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide (CID 119557256) is 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide is CC(C(=O)NCCC1CCCNC1)c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide?
The InChIKey is MRVPWRKGJFFAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(17-11-15-6-2-3-7-16(15)22-17)18(21)20-10-8-14-5-4-9-19-12-14/h2-3,6-7,11,13-14,19H,4-5,8-10,12H2,1H3,(H,20,21).
What are the key properties of 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide?
2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide has a molecular weight of 300.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide is sourced from PubChem (CID 119557256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).