1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide

C21H23ClN2O3S — CID 42382849

IUPAC1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1
InChIInChI=1S/C21H23ClN2O3S/c1-13(25)24-5-2-14(3-6-24)21(26)23-11-18-9-17-8-16(15-4-7-28-12-15)10-19(22)20(17)27-18/h4,7-8,10,12,14,18H,2-3,5-6,9,11H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyWPVJENMLXAYQPU-GOSISDBHSA-N
MW418.95 g/mol
LogP3.75
Rot. Bonds4

About 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide

1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 42382849) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide
PubChem CID42382849
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC Name1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1
InChIInChI=1S/C21H23ClN2O3S/c1-13(25)24-5-2-14(3-6-24)21(26)23-11-18-9-17-8-16(15-4-7-28-12-15)10-19(22)20(17)27-18/h4,7-8,10,12,14,18H,2-3,5-6,9,11H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyWPVJENMLXAYQPU-GOSISDBHSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42370242
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carboxamide
CID 45178031
(2S)-2-acetamido-N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45206325
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide
CID 45232494
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 45230254
N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42542174
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 45242116
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 45170812
(E)-N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 45230024
1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide
CID 45205713
N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide
CID 118756943
(E)-N-[(8-chloro-6-thiophen-3-yl-3,4-dihydro-2H-chromen-2-yl)methyl]-3-pyridin-4-ylprop-2-enamide
CID 144636673

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide (CID 42382849) is 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1.
What is the InChIKey of 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is WPVJENMLXAYQPU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c1-13(25)24-5-2-14(3-6-24)21(26)23-11-18-9-17-8-16(15-4-7-28-12-15)10-19(22)20(17)27-18/h4,7-8,10,12,14,18H,2-3,5-6,9,11H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide?
1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 418.95 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42382849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).