4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride

C19H25Cl2N3O3 — CID 23627252

IUPAC4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride
SMILESCl.Nc1c(Cl)cc(C(=O)NC2CCN(CC3CCOC3)CC2)c2occc12
InChIInChI=1S/C19H24ClN3O3.ClH/c20-16-9-15(18-14(17(16)21)4-8-26-18)19(24)22-13-1-5-23(6-2-13)10-12-3-7-25-11-12;/h4,8-9,12-13H,1-3,5-7,10-11,21H2,(H,22,24);1H
InChIKeyFQEUXMPMTFMQLY-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.32
Rot. Bonds4

About 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride

4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride (PubChem CID 23627252) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride
PubChem CID23627252
Molecular FormulaC19H25Cl2N3O3
Molecular Weight414.33 g/mol
Exact Mass413.13
IUPAC Name4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride
SMILESCl.Nc1c(Cl)cc(C(=O)NC2CCN(CC3CCOC3)CC2)c2occc12
InChIInChI=1S/C19H24ClN3O3.ClH/c20-16-9-15(18-14(17(16)21)4-8-26-18)19(24)22-13-1-5-23(6-2-13)10-12-3-7-25-11-12;/h4,8-9,12-13H,1-3,5-7,10-11,21H2,(H,22,24);1H
InChIKeyFQEUXMPMTFMQLY-UHFFFAOYSA-N
XLogP3.32
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]piperidine-1-carboxylate
CID 69401716
4-amino-5-chloro-N-[[3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-benzofuran-7-carboxamide
CID 122455043
2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
(5-amino-2-methylphenyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120647602
2-methylpropyl 4-[[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 69401231
N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99640785
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119953980
N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111997423
5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride
CID 174303552
1-[2-(furan-2-yl)ethyl]-2-(oxolan-3-ylmethyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine
CID 110056032
3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 95631970

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride (CID 23627252) is 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride is Cl.Nc1c(Cl)cc(C(=O)NC2CCN(CC3CCOC3)CC2)c2occc12.
What is the InChIKey of 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride?
The InChIKey is FQEUXMPMTFMQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3.ClH/c20-16-9-15(18-14(17(16)21)4-8-26-18)19(24)22-13-1-5-23(6-2-13)10-12-3-7-25-11-12;/h4,8-9,12-13H,1-3,5-7,10-11,21H2,(H,22,24);1H.
What are the key properties of 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride?
4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride has a molecular weight of 414.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride is sourced from PubChem (CID 23627252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).