3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride

C19H26ClN3O2 — CID 154887421

IUPAC3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCC2CCCN(Cc3ccco3)C2)c1
InChIInChI=1S/C19H25N3O2.ClH/c20-17-6-1-5-16(12-17)19(23)21-9-8-15-4-2-10-22(13-15)14-18-7-3-11-24-18;/h1,3,5-7,11-12,15H,2,4,8-10,13-14,20H2,(H,21,23);1H
InChIKeyMCBNYCVODUQXDW-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.32
Rot. Bonds6

About 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride

3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride (PubChem CID 154887421) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride
PubChem CID154887421
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCC2CCCN(Cc3ccco3)C2)c1
InChIInChI=1S/C19H25N3O2.ClH/c20-17-6-1-5-16(12-17)19(23)21-9-8-15-4-2-10-22(13-15)14-18-7-3-11-24-18;/h1,3,5-7,11-12,15H,2,4,8-10,13-14,20H2,(H,21,23);1H
InChIKeyMCBNYCVODUQXDW-UHFFFAOYSA-N
XLogP3.32
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-3-hydroxybenzamide
CID 95226562
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide
CID 95205126
3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119885053
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride
CID 119783133
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride (CID 154887421) is 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride is Cl.Nc1cccc(C(=O)NCCC2CCCN(Cc3ccco3)C2)c1.
What is the InChIKey of 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride?
The InChIKey is MCBNYCVODUQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c20-17-6-1-5-16(12-17)19(23)21-9-8-15-4-2-10-22(13-15)14-18-7-3-11-24-18;/h1,3,5-7,11-12,15H,2,4,8-10,13-14,20H2,(H,21,23);1H.
What are the key properties of 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride?
3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 154887421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).