[4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride

C19H27ClN2O3 — CID 119664624

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCC(OCCCN)CC2)oc2c(C)cccc12.Cl
InChIInChI=1S/C19H26N2O3.ClH/c1-13-5-3-6-16-14(2)18(24-17(13)16)19(22)21-10-7-15(8-11-21)23-12-4-9-20;/h3,5-6,15H,4,7-12,20H2,1-2H3;1H
InChIKeyIMKINKGJMALWJD-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.44
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride (PubChem CID 119664624) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
PubChem CID119664624
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCC(OCCCN)CC2)oc2c(C)cccc12.Cl
InChIInChI=1S/C19H26N2O3.ClH/c1-13-5-3-6-16-14(2)18(24-17(13)16)19(22)21-10-7-15(8-11-21)23-12-4-9-20;/h3,5-6,15H,4,7-12,20H2,1-2H3;1H
InChIKeyIMKINKGJMALWJD-UHFFFAOYSA-N
XLogP3.44
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 119662106
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119664718
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119664331
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119664011
N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 119482356
[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 79734997
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride (CID 119664624) is [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride is Cc1c(C(=O)N2CCC(OCCCN)CC2)oc2c(C)cccc12.Cl.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride?
The InChIKey is IMKINKGJMALWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.ClH/c1-13-5-3-6-16-14(2)18(24-17(13)16)19(22)21-10-7-15(8-11-21)23-12-4-9-20;/h3,5-6,15H,4,7-12,20H2,1-2H3;1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119664624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).