N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C21H31ClN2O3 — CID 119776177

IUPACN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1ccc2oc(C(C)NC(=O)CC(C)C3CCNCC3)c(C)c2c1.Cl
InChIInChI=1S/C21H30N2O3.ClH/c1-13(16-7-9-22-10-8-16)11-20(24)23-15(3)21-14(2)18-12-17(25-4)5-6-19(18)26-21;/h5-6,12-13,15-16,22H,7-11H2,1-4H3,(H,23,24);1H
InChIKeyURHWLVKGKKFHJS-UHFFFAOYSA-N
MW394.94 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119776177) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119776177
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1ccc2oc(C(C)NC(=O)CC(C)C3CCNCC3)c(C)c2c1.Cl
InChIInChI=1S/C21H30N2O3.ClH/c1-13(16-7-9-22-10-8-16)11-20(24)23-15(3)21-14(2)18-12-17(25-4)5-6-19(18)26-21;/h5-6,12-13,15-16,22H,7-11H2,1-4H3,(H,23,24);1H
InChIKeyURHWLVKGKKFHJS-UHFFFAOYSA-N
XLogP4.37
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119776161
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119776152
(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
CID 120792334
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119319220
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
4-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001157
N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119778203
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
CID 126803953
(3R,4S)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120931348
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119776177) is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is COc1ccc2oc(C(C)NC(=O)CC(C)C3CCNCC3)c(C)c2c1.Cl.
What is the InChIKey of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is URHWLVKGKKFHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3.ClH/c1-13(16-7-9-22-10-8-16)11-20(24)23-15(3)21-14(2)18-12-17(25-4)5-6-19(18)26-21;/h5-6,12-13,15-16,22H,7-11H2,1-4H3,(H,23,24);1H.
What are the key properties of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 394.94 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119776177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).