N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C23H28ClN3O3 — CID 119594551

IUPACN-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)C1.Cl
InChIInChI=1S/C23H27N3O3.ClH/c1-15(24)18-8-5-11-26(14-18)23(28)17-7-4-9-19(12-17)25-22(27)21-13-16-6-2-3-10-20(16)29-21;/h2-4,6-7,9-10,12,15,18,21H,5,8,11,13-14,24H2,1H3,(H,25,27);1H
InChIKeyCZIMTACWQSRAJB-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.25
Rot. Bonds4

About N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119594551) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119594551
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC NameN-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)C1.Cl
InChIInChI=1S/C23H27N3O3.ClH/c1-15(24)18-8-5-11-26(14-18)23(28)17-7-4-9-19(12-17)25-22(27)21-13-16-6-2-3-10-20(16)29-21;/h2-4,6-7,9-10,12,15,18,21H,5,8,11,13-14,24H2,1H3,(H,25,27);1H
InChIKeyCZIMTACWQSRAJB-UHFFFAOYSA-N
XLogP3.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119467754
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
CID 55821307
N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 154833831
1-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 43062660
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 155945349
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 119596828
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55749037
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 124690900
N-[3-[(3R)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512641

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119594551) is N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is CC(N)C1CCCN(C(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)C1.Cl.
What is the InChIKey of N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is CZIMTACWQSRAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3.ClH/c1-15(24)18-8-5-11-26(14-18)23(28)17-7-4-9-19(12-17)25-22(27)21-13-16-6-2-3-10-20(16)29-21;/h2-4,6-7,9-10,12,15,18,21H,5,8,11,13-14,24H2,1H3,(H,25,27);1H.
What are the key properties of N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119594551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).