(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C20H31N3O2 — CID 97213485

IUPAC(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(C)C1CCN(C(C)(C)CNC(=O)[C@@H]2COc3ccccc32)CC1
InChIInChI=1S/C20H31N3O2/c1-20(2,23-11-9-15(10-12-23)22(3)4)14-21-19(24)17-13-25-18-8-6-5-7-16(17)18/h5-8,15,17H,9-14H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyOFZAMFDGZIVHIN-QGZVFWFLSA-N
MW345.49 g/mol
LogP2.08
Rot. Bonds5

About (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97213485) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97213485
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(C)C1CCN(C(C)(C)CNC(=O)[C@@H]2COc3ccccc32)CC1
InChIInChI=1S/C20H31N3O2/c1-20(2,23-11-9-15(10-12-23)22(3)4)14-21-19(24)17-13-25-18-8-6-5-7-16(17)18/h5-8,15,17H,9-14H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyOFZAMFDGZIVHIN-QGZVFWFLSA-N
XLogP2.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103840148
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 71870034
N-(2-bromo-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107156608
N-(1-amino-2-cyclopropylpropan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 81486749
(2R)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2-methoxypropanamide
CID 95238788
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97436612
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95625892
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-(2-amino-2-hydroxyiminoethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020893

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97213485) is (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CN(C)C1CCN(C(C)(C)CNC(=O)[C@@H]2COc3ccccc32)CC1.
What is the InChIKey of (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is OFZAMFDGZIVHIN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,23-11-9-15(10-12-23)22(3)4)14-21-19(24)17-13-25-18-8-6-5-7-16(17)18/h5-8,15,17H,9-14H2,1-4H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97213485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).