N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride

C22H24ClN3O3 — CID 119380514

IUPACN-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C1
InChIInChI=1S/C22H23N3O3.ClH/c23-17-5-3-11-25(14-17)21(26)12-15-7-9-18(10-8-15)24-22(27)20-13-16-4-1-2-6-19(16)28-20;/h1-2,4,6-10,13,17H,3,5,11-12,14,23H2,(H,24,27);1H
InChIKeyINALPIVLTGJDCA-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.60
Rot. Bonds4

About N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride

N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119380514) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119380514
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C1
InChIInChI=1S/C22H23N3O3.ClH/c23-17-5-3-11-25(14-17)21(26)12-15-7-9-18(10-8-15)24-22(27)20-13-16-4-1-2-6-19(16)28-20;/h1-2,4,6-10,13,17H,3,5,11-12,14,23H2,(H,24,27);1H
InChIKeyINALPIVLTGJDCA-UHFFFAOYSA-N
XLogP3.60
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
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CID 61297397
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56559124
N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 6459741
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 9362905
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 86981185
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 119380514) is N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride is Cl.NC1CCCN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C1.
What is the InChIKey of N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is INALPIVLTGJDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.ClH/c23-17-5-3-11-25(14-17)21(26)12-15-7-9-18(10-8-15)24-22(27)20-13-16-4-1-2-6-19(16)28-20;/h1-2,4,6-10,13,17H,3,5,11-12,14,23H2,(H,24,27);1H.
What are the key properties of N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride?
N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119380514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).