N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide

C21H23N3O2 — CID 91675417

IUPACN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCC1CCCCN1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H23N3O2/c1-14-6-4-5-11-24(14)18-10-9-16(22)13-17(18)23-21(25)20-12-15-7-2-3-8-19(15)26-20/h2-3,7-10,12-14H,4-6,11,22H2,1H3,(H,23,25)
InChIKeySALRMMKEQWHNHT-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.65
Rot. Bonds3

About N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide

N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 91675417) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID91675417
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCC1CCCCN1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H23N3O2/c1-14-6-4-5-11-24(14)18-10-9-16(22)13-17(18)23-21(25)20-12-15-7-2-3-8-19(15)26-20/h2-3,7-10,12-14H,4-6,11,22H2,1H3,(H,23,25)
InChIKeySALRMMKEQWHNHT-UHFFFAOYSA-N
XLogP4.65
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.65
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-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
CID 100803151
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 28692731
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
N-[[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 59786830
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 91675417) is N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide is CC1CCCCN1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SALRMMKEQWHNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-6-4-5-11-24(14)18-10-9-16(22)13-17(18)23-21(25)20-12-15-7-2-3-8-19(15)26-20/h2-3,7-10,12-14H,4-6,11,22H2,1H3,(H,23,25).
What are the key properties of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91675417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).