(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H23N3O2 — CID 25337403

IUPAC(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-22-10-12-23(13-11-22)17-8-6-16(7-9-17)21-20(24)19-14-15-4-2-3-5-18(15)25-19/h2-9,19H,10-14H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyUKEUMCQGJCZTBM-IBGZPJMESA-N
MW337.42 g/mol
LogP2.38
Rot. Bonds3

About (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 25337403) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID25337403
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-22-10-12-23(13-11-22)17-8-6-16(7-9-17)21-20(24)19-14-15-4-2-3-5-18(15)25-19/h2-9,19H,10-14H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyUKEUMCQGJCZTBM-IBGZPJMESA-N
XLogP2.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 78671276
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94801265
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090179
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55668689
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 25337403) is (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CN1CCN(c2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2)CC1.
What is the InChIKey of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is UKEUMCQGJCZTBM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-10-12-23(13-11-22)17-8-6-16(7-9-17)21-20(24)19-14-15-4-2-3-5-18(15)25-19/h2-9,19H,10-14H2,1H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25337403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).