N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide

C16H23N3O2 — CID 63732271

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESNCCN1CCC(NC(=O)c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C16H23N3O2/c17-5-8-19-6-3-15(4-7-19)18-16(20)12-1-2-13-10-21-11-14(13)9-12/h1-2,9,15H,3-8,10-11,17H2,(H,18,20)
InChIKeyKUAGLABPKLDTHH-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.87
Rot. Bonds4

About N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63732271) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63732271
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESNCCN1CCC(NC(=O)c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C16H23N3O2/c17-5-8-19-6-3-15(4-7-19)18-16(20)12-1-2-13-10-21-11-14(13)9-12/h1-2,9,15H,3-8,10-11,17H2,(H,18,20)
InChIKeyKUAGLABPKLDTHH-UHFFFAOYSA-N
XLogP0.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
CID 156882442
N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 107702105
N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 105060018
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998614
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79698757
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide
CID 82797720
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63732271) is N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide is NCCN1CCC(NC(=O)c2ccc3c(c2)COC3)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is KUAGLABPKLDTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-5-8-19-6-3-15(4-7-19)18-16(20)12-1-2-13-10-21-11-14(13)9-12/h1-2,9,15H,3-8,10-11,17H2,(H,18,20).
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63732271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).